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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

In the title hydrated hybrid compound C(14)H(14)N(2)OS(2)·H(2)O, 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 0.42...

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Detalles Bibliográficos
Autores principales: Bibila Mayaya Bisseyou, Yvon, Ouattara, Mahama, Soro, Pénétjiligué Adama, Yao-Kakou, R. C. A., Tenon, Abodou Jules
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895949/
https://www.ncbi.nlm.nih.gov/pubmed/31871761
http://dx.doi.org/10.1107/S2056989019015755
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author Bibila Mayaya Bisseyou, Yvon
Ouattara, Mahama
Soro, Pénétjiligué Adama
Yao-Kakou, R. C. A.
Tenon, Abodou Jules
author_facet Bibila Mayaya Bisseyou, Yvon
Ouattara, Mahama
Soro, Pénétjiligué Adama
Yao-Kakou, R. C. A.
Tenon, Abodou Jules
author_sort Bibila Mayaya Bisseyou, Yvon
collection PubMed
description In the title hydrated hybrid compound C(14)H(14)N(2)OS(2)·H(2)O, 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 R (2) (2)(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.
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spelling pubmed-68959492019-12-23 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 Bibila Mayaya Bisseyou, Yvon Ouattara, Mahama Soro, Pénétjiligué Adama Yao-Kakou, R. C. A. Tenon, Abodou Jules Acta Crystallogr E Crystallogr Commun Research Communications In the title hydrated hybrid compound C(14)H(14)N(2)OS(2)·H(2)O, 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 R (2) (2)(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. International Union of Crystallography 2019-11-29 /pmc/articles/PMC6895949/ /pubmed/31871761 http://dx.doi.org/10.1107/S2056989019015755 Text en © Bibila Mayaya Bisseyou et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Bibila Mayaya Bisseyou, Yvon
Ouattara, Mahama
Soro, Pénétjiligué Adama
Yao-Kakou, R. C. A.
Tenon, Abodou Jules
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895949/
https://www.ncbi.nlm.nih.gov/pubmed/31871761
http://dx.doi.org/10.1107/S2056989019015755
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