INQUIMAE   12526
INSTITUTO DE QUIMICA, FISICA DE LOS MATERIALES, MEDIOAMBIENTE Y ENERGIA
Unidad Ejecutora - UE
artículos
Título:
Comparison of halogen bonding and van der Waals and Pi-Pi interactions in 4,5-dibromo-2-hexyloxyphenol
Autor/es:
FABIO D. CUKIERNIK; FLORENCIA CECCHI; RICARDO BAGGIO
Revista:
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Editorial:
International Union of Crystallography
Referencias:
Año: 2009 vol. 65 p. 233 - 233
ISSN:
0108-2701
Resumen:
The title compound, C12H16BrO2, is an interesting case of a simple organic molecule making use of .ve different types of intra- and intermolecular interactions (viz. conventional and nonconventional hydrogen bonds, and Pi–Pi, Br...Br and Br...O contacts), all of them relevant in the molecular and crystal structure geometry. The molecules are strictly planar, with an intramolecular O—H...O hydrogen bond, and associate into two-dimensional structures parallel to (201) through two different types of halogen bonding. The planar structures, in turn, stack parallel to each other interlinked by C—H...Pi and Pi–Pi contacts. Also discussed are the relevant structural features leading to the rather low melting point of the compound.12H16BrO2, is an interesting case of a simple organic molecule making use of .ve different types of intra- and intermolecular interactions (viz. conventional and nonconventional hydrogen bonds, and Pi–Pi, Br...Br and Br...O contacts), all of them relevant in the molecular and crystal structure geometry. The molecules are strictly planar, with an intramolecular O—H...O hydrogen bond, and associate into two-dimensional structures parallel to (201) through two different types of halogen bonding. The planar structures, in turn, stack parallel to each other interlinked by C—H...Pi and Pi–Pi contacts. Also discussed are the relevant structural features leading to the rather low melting point of the compound.