Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives
| Title | Molecular association via halogen bonding and other weak interactions in the crystal structures of 11-bromo-12-oxo-5 beta-cholan derivatives |
| Publication Type | Journal Article |
| Year of Publication | 2008 |
| Authors | Salunke, DB, Hazra, BG, Gonnade, RG, Pore, VS, Bhadbhade, MM |
| Journal | Journal of Molecular Structure |
| Volume | 892 |
| Issue | 1-3 |
| Pagination | 246-253 |
| Date Published | DEC |
| Type of Article | Article |
| ISSN | 0022-2860 |
| Keywords | 11-Bromosteroids, Cholic acid, crystal structure, Halogen bonding |
| Abstract | 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. |
| DOI | 10.1016/j.molstruc.2008.05.051 |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 1.78 |