INQUISUR   21779
INSTITUTO DE QUIMICA DEL SUR
Unidad Ejecutora - UE
artículos
Título:
4'-(2-(2-ethoxyethoxy)ethoxy)biphenyl-4-carboxylic acid: correlation between its crystalline and smectic phases
Autor/es:
MONTANI, R. S.; GARAY, R. O.; CUKIERNIK, F. D.; GARLAND M. T.; BAGGIO, R.
Revista:
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Editorial:
International Union of Crystallography
Referencias:
Lugar: Chester; Año: 2009 vol. C65 p. 81 - 84
ISSN:
0108-2701
Resumen:
<!-- /* Font Definitions */ @font-face {font-family:Advt93-r; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:auto; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} @font-face {font-family:Advt93-i; panose-1:0 0 0 0 0 0 0 0 0 0; mso-font-charset:0; mso-generic-font-family:auto; mso-font-format:other; mso-font-pitch:auto; mso-font-signature:3 0 0 0 1 0;} /* Style Definitions */ p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-parent:""; margin:0cm; margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:12.0pt; font-family:"Times New Roman"; mso-fareast-font-family:"Times New Roman";} @page Section1 {size:612.0pt 792.0pt; margin:70.85pt 3.0cm 70.85pt 3.0cm; mso-header-margin:36.0pt; mso-footer-margin:36.0pt; mso-paper-source:0;} div.Section1 {page:Section1;} --> The crystal structure of the dimeric title compound, C19H22O5, is dominated by a head-to-head hydrogen-bonding interaction between centrosymmetrically related carboxyl groups in each monomer. The result is a dimeric axis of unusual length (ca34 A˚), but still shorter than what could be expected for a fully extended chain, owing to two turning points in the oligoethoxy ends. This allows for an explanation of the structure of the smectic mesophase exhibited by this compound and at the same time fully validates former geometric estimations based on PM3 calculations.