%0 Journal Article %J Journal of Molecular Structure %D 2008 %T Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives %A Salunke, Deepak B. %A Hazra, Braja G. %A Gonnade, Rajesh G. %A Pore, Vandana S. %A Bhadbhade, Mohan M. %K 11-Bromosteroids %K Cholic acid %K crystal structure %K Halogen bonding %X

Methyl 3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 2, methyl 11 alpha-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 3, methyl 11 beta-bromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 4 and methyl 11,11-dibromo-3 alpha,7 alpha-diacetoxy-12-oxo-5 beta-cholan-24-oate 5 were synthesized. The crystal structures of these molecules were resolved to study the effect of bulky bromine atom in the steroid skeleton of cholic acid with different stereo-chemical orientations at C-11 on the two-dimensional arrangement of molecules and solid-state properties. All the molecules associate only via weak intermolecular interactions in their crystal structures, notable one being the Halogen Bonded assembly (C-Br center dot center dot center dot O) in 5. (C) 2008 Elsevier B.V. All rights reserved.

%B Journal of Molecular Structure %I ELSEVIER SCIENCE BV %C PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS %V 892 %P 246-253 %8 DEC %G eng %N 1-3 %9 Article %3 Foreign %4 1.78 %R 10.1016/j.molstruc.2008.05.051