TY - JOUR T1 - Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives JF - Journal of Molecular Structure Y1 - 2008 A1 - Salunke, Deepak B. A1 - Hazra, Braja G. A1 - Gonnade, Rajesh G. A1 - Pore, Vandana S. A1 - Bhadbhade, Mohan M. KW - 11-Bromosteroids KW - Cholic acid KW - crystal structure KW - Halogen bonding AB -

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.

PB - ELSEVIER SCIENCE BV CY - PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS VL - 892 IS - 1-3 U3 - Foreign U4 - 1.78 ER -