Crystal structure, Hirshfeld surface analysis and contact enrichment ratios of 1-(2,7-di-methyl-imidazo[1,2-a]pyridin-3-yl)-2-(1,3-di-thio-lan-2-yl-idene)ethanone monohydrate.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 12): 1934-1939, 2019 Dec 01.
Article
em En
| MEDLINE
| ID: mdl-31871761
ABSTRACT
In the title hydrated hybrid compound C14H14N2OS2·H2O, the planar imidazo[1,2-a]pyridine ring system is linked to the 1,3-di-thiol-ane moiety by an enone bridge. The atoms of the C-C bond in the 1,3-di-thiol-ane ring are disordered over two positions with occupancies of 0.579â
(14) and 0.421â
(14) and both disordered rings adopt a half-chair conformation. The oxygen atom of the enone bridge is involved in a weak intra-molecular C-Hâ¯O hydrogen bond, which generates an S(6) graph-set motif. In the crystal, the hybrid mol-ecules are associated in R 2 2(14) dimeric units by weak C-Hâ¯O inter-actions. O-Hâ¯O hydrogen bonds link the water mol-ecules, forming infinite self-assembled chains along the b-axis direction to which the dimers are connected via O-Hâ¯N hydrogen bonding. Analysis of inter-molecular contacts using Hirshfeld surface analysis and contact enrichment ratio descriptors indicate that hydrogen bonds induced by water mol-ecules are the main driving force in the crystal packing formation.
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Ano de publicação:
2019
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Article