Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene

In the title compound, C(30)H(20)O(2)S(2), the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetyl­sulfanyl groups are 59.60 (10) and 8...

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Detalles Bibliográficos
Autores principales: Förster, Sebastian, Seichter, Wilhelm, Weber, Edwin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719999/
https://www.ncbi.nlm.nih.gov/pubmed/26870518
http://dx.doi.org/10.1107/S2056989016000323
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author Förster, Sebastian
Seichter, Wilhelm
Weber, Edwin
author_facet Förster, Sebastian
Seichter, Wilhelm
Weber, Edwin
author_sort Förster, Sebastian
collection PubMed
description In the title compound, C(30)H(20)O(2)S(2), the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetyl­sulfanyl groups are 59.60 (10) and 84.79 (10)°. The expected π–π stacking inter­actions are not observed in the crystal structure; instead, the packing features C—H⋯O hydrogen bonds, which link the mol­ecules into C(12) [010] chains, which are supported by weak C—H⋯π contacts.
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spelling pubmed-47199992016-02-11 Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene Förster, Sebastian Seichter, Wilhelm Weber, Edwin Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(30)H(20)O(2)S(2), the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetyl­sulfanyl groups are 59.60 (10) and 84.79 (10)°. The expected π–π stacking inter­actions are not observed in the crystal structure; instead, the packing features C—H⋯O hydrogen bonds, which link the mol­ecules into C(12) [010] chains, which are supported by weak C—H⋯π contacts. International Union of Crystallography 2015-12-31 /pmc/articles/PMC4719999/ /pubmed/26870518 http://dx.doi.org/10.1107/S2056989016000323 Text en © Förster et al. 2015 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 Data Reports
Förster, Sebastian
Seichter, Wilhelm
Weber, Edwin
Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
title Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
title_full Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
title_fullStr Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
title_full_unstemmed Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
title_short Crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
title_sort crystal structure of 1,3-bis­{[4-(acetyl­sulfanyl)phenyl]ethynyl}azulene
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719999/
https://www.ncbi.nlm.nih.gov/pubmed/26870518
http://dx.doi.org/10.1107/S2056989016000323
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