Title of article :
Crystal structure, Hirshfeld surface analysis and contact enrichment ratios of 1-(2,7-di­methyl­imidazo[1,2-a]pyridin-3-yl)-2-(1,3-di­thio­lan-2-yl­­idene)ethanone monohydrate
Author/Authors :
Mayaya Bisseyou, Yvon Bibila Laboratoire de Cristallographie et Physique Moléculaire - UFR des Sciences des Structures de la Matière et de Technologie - Université Félix Houphouët-Boigny, Côte d'Ivoire , Ouattara, Mahama Département de Chimie Thérapeutique et Chimie Organique Pharmaceutique, UFR Sciences Pharmaceutiques et Biologiques - Université Félix Houphouët-Boigny, Côte d'Ivoire , Adama Soro, Pénétjiligué Laboratoire de Cristallographie et Physique Moléculaire - UFR des Sciences des Structures de la Matière et de Technologie - Université Félix Houphouët-Boigny, Côte d'Ivoire , Yao-Kakou, R. C. A. Laboratoire de Cristallographie et Physique Moléculaire - UFR des Sciences des Structures de la Matière et de Technologie - Université Félix Houphouët-Boigny, Côte d'Ivoire , Tenon, Abodou Jules Laboratoire de Cristallographie et Physique Moléculaire - UFR des Sciences des Structures de la Matière et de Technologie - Université Félix Houphouët-Boigny, Côte d'Ivoire
Pages :
10
From page :
1
To page :
10
Abstract :
In the title hydrated hybrid compound C14H14N2OS2·H2O, the planar imidazo[1,2-a]pyridine ring system is linked to the 1,3-di­thiol­ane moiety by an enone bridge. The atoms of the C—C bond in the 1,3-di­thiol­ane ring are disordered over two positions with occupancies of 0.579 (14) and 0.421 (14) and both disordered rings adopt a half-chair conformation. The oxygen atom of the enone bridge is involved in a weak intra­molecular C—H⋯O hydrogen bond, which generates an S(6) graph-set motif. In the crystal, the hybrid mol­ecules are associated in R22(14) dimeric units by weak C—H⋯O inter­actions. O—H⋯O hydrogen bonds link the water mol­ecules, forming infinite self-assembled chains along the b-axis direction to which the dimers are connected via O—H⋯N hydrogen bonding. Analysis of inter­molecular contacts using Hirshfeld surface analysis and contact enrichment ratio descriptors indicate that hydrogen bonds induced by water mol­ecules are the main driving force in the crystal packing formation.
Keywords :
crystal structure , hybrid mol­ecule , Hirshfeld surface analysis , enrichment contact , hydrogen bond
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2624795
Link To Document :
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