Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione

The title compound, C(8)H(8)O(2)S(2), contains a cyclo­hexane-1,3-dione ring, which has a twist-boat conformation. The C(2)S(2) ring is close to planar (r.m.s. deviation = 0.023 Å) and the dihedral angle between the mean planes of the cyclo­hexane and 1,3-dithietane rings is 9.1 (3)°. Short intra­mo...

Descripción completa

Detalles Bibliográficos
Autores principales: Kellou, Sabah, Brihi, Ouarda, Chetioui, Souheyla, Salah Eddine, Lemallem, Abdelali, Fiala, Boudjada, Ali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9638978/
https://www.ncbi.nlm.nih.gov/pubmed/36380906
http://dx.doi.org/10.1107/S2056989022009872
_version_ 1784825540307320832
author Kellou, Sabah
Brihi, Ouarda
Chetioui, Souheyla
Salah Eddine, Lemallem
Abdelali, Fiala
Boudjada, Ali
author_facet Kellou, Sabah
Brihi, Ouarda
Chetioui, Souheyla
Salah Eddine, Lemallem
Abdelali, Fiala
Boudjada, Ali
author_sort Kellou, Sabah
collection PubMed
description The title compound, C(8)H(8)O(2)S(2), contains a cyclo­hexane-1,3-dione ring, which has a twist-boat conformation. The C(2)S(2) ring is close to planar (r.m.s. deviation = 0.023 Å) and the dihedral angle between the mean planes of the cyclo­hexane and 1,3-dithietane rings is 9.1 (3)°. Short intra­molecular S⋯O contacts occur [2.719 (5) and 2.740 (5) Å]. In the crystal, the mol­ecules are linked by weak C—H⋯S hydrogen bonds and short [3.165 (5) Å] S⋯O contacts, forming (010) layers. The prevalence of these inter­actions is illustrated by an analysis of the three-dimensional Hirshfeld surface and by two-dimensional fingerprint plots.
format Online
Article
Text
id pubmed-9638978
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-96389782022-11-14 Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione Kellou, Sabah Brihi, Ouarda Chetioui, Souheyla Salah Eddine, Lemallem Abdelali, Fiala Boudjada, Ali Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(8)H(8)O(2)S(2), contains a cyclo­hexane-1,3-dione ring, which has a twist-boat conformation. The C(2)S(2) ring is close to planar (r.m.s. deviation = 0.023 Å) and the dihedral angle between the mean planes of the cyclo­hexane and 1,3-dithietane rings is 9.1 (3)°. Short intra­molecular S⋯O contacts occur [2.719 (5) and 2.740 (5) Å]. In the crystal, the mol­ecules are linked by weak C—H⋯S hydrogen bonds and short [3.165 (5) Å] S⋯O contacts, forming (010) layers. The prevalence of these inter­actions is illustrated by an analysis of the three-dimensional Hirshfeld surface and by two-dimensional fingerprint plots. International Union of Crystallography 2022-10-13 /pmc/articles/PMC9638978/ /pubmed/36380906 http://dx.doi.org/10.1107/S2056989022009872 Text en © Kellou et al. 2022 https://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.
spellingShingle Research Communications
Kellou, Sabah
Brihi, Ouarda
Chetioui, Souheyla
Salah Eddine, Lemallem
Abdelali, Fiala
Boudjada, Ali
Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
title Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
title_full Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
title_fullStr Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
title_full_unstemmed Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
title_short Synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
title_sort synthesis and crystal structure of 2-(1,3-dithietan-2-yl­idene)cyclo­hexane-1,3-dione
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9638978/
https://www.ncbi.nlm.nih.gov/pubmed/36380906
http://dx.doi.org/10.1107/S2056989022009872
work_keys_str_mv AT kellousabah synthesisandcrystalstructureof213dithietan2ylidenecyclohexane13dione
AT brihiouarda synthesisandcrystalstructureof213dithietan2ylidenecyclohexane13dione
AT chetiouisouheyla synthesisandcrystalstructureof213dithietan2ylidenecyclohexane13dione
AT salaheddinelemallem synthesisandcrystalstructureof213dithietan2ylidenecyclohexane13dione
AT abdelalifiala synthesisandcrystalstructureof213dithietan2ylidenecyclohexane13dione
AT boudjadaali synthesisandcrystalstructureof213dithietan2ylidenecyclohexane13dione

Ejemplares similares