Structural and conformational properties of fluoroformic acid anhydride, FC(O)OC(O)F

FLORIAN MAYER; HEINZ OBERHAMMER; MICHAEL BERKEI; HOLGER PERNICE; HELGE WILLNER; KARINA BIERBRAUER; MAXIMILIANO BURGOS PACI; GUSTAVO A. ARGÜELLO

INORGANIC CHEMISTRY

American Chemical Society

Año: 2004 vol. 43 p. 8162 - 8168

0020-1669

The conformational properties and geometric structures of fluoroformic acid anhydride, FC(O)OC(O)F, have been studied by vibrational spectroscopy, gas electron diffraction (GED), single-crystal X-ray diffraction, and quantum chemical calculations (HF, MP2, and B3LYP methods with 6-31G* and B3LYP/6-311+G* basis sets). Satellite bands in the IR matrix spectra, which increase in intensity when the matrix gas mixture is heated prior to deposition as a matrix, indicate the presence of two conformers at room temperature. According to the electron diffraction analysis, the prevailing conformer is of C2 symmetry with both CdO bonds synperiplanar with respect to the opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. bands in the IR matrix spectra, which increase in intensity when the matrix gas mixture is heated prior to deposition as a matrix, indicate the presence of two conformers at room temperature. According to the electron diffraction analysis, the prevailing conformer is of C2 symmetry with both CdO bonds synperiplanar with respect to the opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. bands in the IR matrix spectra, which increase in intensity when the matrix gas mixture is heated prior to deposition as a matrix, indicate the presence of two conformers at room temperature. According to the electron diffraction analysis, the prevailing conformer is of C2 symmetry with both CdO bonds synperiplanar with respect to the opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. +G* basis sets). Satellite bands in the IR matrix spectra, which increase in intensity when the matrix gas mixture is heated prior to deposition as a matrix, indicate the presence of two conformers at room temperature. According to the electron diffraction analysis, the prevailing conformer is of C2 symmetry with both CdO bonds synperiplanar with respect to the opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. 2 symmetry with both CdO bonds synperiplanar with respect to the opposite C-O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. -O bond ([sp, sp] conformer). The minor conformer [15(5)% from IR matrix and 6(11)% from GED] is predicted by quantum chemical calculations to possess an [sp, ac] structure. FC(O)OC(O)F crystallizes in the orthorhombic system in the space group P212121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED. 12121 with a ) 6.527(1) Å, b ) 7.027(1) Å, and c ) 16.191(1) Å and four formula units per unit cell. In the crystal, only the [sp, sp] conformer is present, and the structural parameters are very similar to those determined by GED.