Cargando…
2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile
In the title compound, C(21)H(11)N(5)S, the phenothiazine unit has a butterfly structure, and the central six-membered ring adopts a boat conformation. The dihedral angle between the benzene rings is 127.64 (6)°, which is smaller than those reported for similar compounds because of the steric repu...
Autores principales: | , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647861/ https://www.ncbi.nlm.nih.gov/pubmed/23723827 http://dx.doi.org/10.1107/S1600536813008799 |
_version_ | 1782268792565399552 |
---|---|
author | Okuno, Tsunehisa Iwahashi, Hirokazu |
author_facet | Okuno, Tsunehisa Iwahashi, Hirokazu |
author_sort | Okuno, Tsunehisa |
collection | PubMed |
description | In the title compound, C(21)H(11)N(5)S, the phenothiazine unit has a butterfly structure, and the central six-membered ring adopts a boat conformation. The dihedral angle between the benzene rings is 127.64 (6)°, which is smaller than those reported for similar compounds because of the steric repulsion between the phenothiazine and its tetracyano-1,3-butadiene substituent. The dicyanovinyl groups are almost orthogonal to one another, making a dihedral angle of 80.58 (6)°. In the crystal, the molecules are aligned along the b axis. Four kinds of weak C—H⋯N interactions are recognized, one of which connects the molecules into a one-dimensional array and the remaining three link these arrays. |
format | Online Article Text |
id | pubmed-3647861 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36478612013-05-30 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile Okuno, Tsunehisa Iwahashi, Hirokazu Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(11)N(5)S, the phenothiazine unit has a butterfly structure, and the central six-membered ring adopts a boat conformation. The dihedral angle between the benzene rings is 127.64 (6)°, which is smaller than those reported for similar compounds because of the steric repulsion between the phenothiazine and its tetracyano-1,3-butadiene substituent. The dicyanovinyl groups are almost orthogonal to one another, making a dihedral angle of 80.58 (6)°. In the crystal, the molecules are aligned along the b axis. Four kinds of weak C—H⋯N interactions are recognized, one of which connects the molecules into a one-dimensional array and the remaining three link these arrays. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647861/ /pubmed/23723827 http://dx.doi.org/10.1107/S1600536813008799 Text en © Okuno and Iwahashi 2013 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 Okuno, Tsunehisa Iwahashi, Hirokazu 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
title | 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
title_full | 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
title_fullStr | 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
title_full_unstemmed | 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
title_short | 2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
title_sort | 2-methyl-3-(10h-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647861/ https://www.ncbi.nlm.nih.gov/pubmed/23723827 http://dx.doi.org/10.1107/S1600536813008799 |
work_keys_str_mv | AT okunotsunehisa 2methyl310hphenothiazin10ylbuta13diene1144tetracarbonitrile AT iwahashihirokazu 2methyl310hphenothiazin10ylbuta13diene1144tetracarbonitrile |