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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...

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Detalles Bibliográficos
Autores principales: Okuno, Tsunehisa, Iwahashi, Hirokazu
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
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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.
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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
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