4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one

The title compound, C(7)H(6)OS, crystallizes with two similar mol­ecules, 1 and 2, in the asymmetric unit. Both mol­ecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 Å for the planes through the nine non-H atoms of mol­ecules 1 and 2, respectively. The thio­phene and 4,5-dihy...

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Detalles Bibliográficos
Autores principales: Hanton, Lyall R., Moratti, Stephen C., Shi, Zheng, Simpson, Jim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275050/
https://www.ncbi.nlm.nih.gov/pubmed/22346995
http://dx.doi.org/10.1107/S1600536811056042
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author Hanton, Lyall R.
Moratti, Stephen C.
Shi, Zheng
Simpson, Jim
author_facet Hanton, Lyall R.
Moratti, Stephen C.
Shi, Zheng
Simpson, Jim
author_sort Hanton, Lyall R.
collection PubMed
description The title compound, C(7)H(6)OS, crystallizes with two similar mol­ecules, 1 and 2, in the asymmetric unit. Both mol­ecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 Å for the planes through the nine non-H atoms of mol­ecules 1 and 2, respectively. The thio­phene and 4,5-dihydro­cyclo­penta­dienone rings are inclined at 2.40 (13)° in 1 and 0.64 (13)° in 2. In the crystal structure π–π [3.6542 (17) Å] and C—H⋯π contacts stack the mol­ecules into columns in an inverse fashion along the b axis. An extensive series of C—H⋯O hydrogen bonds links the columns, generating an extended network structure.
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spelling pubmed-32750502012-02-15 4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one Hanton, Lyall R. Moratti, Stephen C. Shi, Zheng Simpson, Jim Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(7)H(6)OS, crystallizes with two similar mol­ecules, 1 and 2, in the asymmetric unit. Both mol­ecules are essentially planar with r.m.s. deviations of 0.0193 and 0.0107 Å for the planes through the nine non-H atoms of mol­ecules 1 and 2, respectively. The thio­phene and 4,5-dihydro­cyclo­penta­dienone rings are inclined at 2.40 (13)° in 1 and 0.64 (13)° in 2. In the crystal structure π–π [3.6542 (17) Å] and C—H⋯π contacts stack the mol­ecules into columns in an inverse fashion along the b axis. An extensive series of C—H⋯O hydrogen bonds links the columns, generating an extended network structure. International Union of Crystallography 2012-01-14 /pmc/articles/PMC3275050/ /pubmed/22346995 http://dx.doi.org/10.1107/S1600536811056042 Text en © Hanton et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Hanton, Lyall R.
Moratti, Stephen C.
Shi, Zheng
Simpson, Jim
4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one
title 4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one
title_full 4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one
title_fullStr 4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one
title_full_unstemmed 4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one
title_short 4,5-Dihydro­cyclo­penta­[b]thio­phen-6-one
title_sort 4,5-dihydro­cyclo­penta­[b]thio­phen-6-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275050/
https://www.ncbi.nlm.nih.gov/pubmed/22346995
http://dx.doi.org/10.1107/S1600536811056042
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