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3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one

In the title compound, C(17)H(10)Cl(2)N(4)OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3)...

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Autores principales: Fun, Hoong-Kun, Arshad, Suhana, Sarojini, B. K., Imran, U. A., Krishna, B.G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379325/
https://www.ncbi.nlm.nih.gov/pubmed/22719523
http://dx.doi.org/10.1107/S1600536812021253
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author Fun, Hoong-Kun
Arshad, Suhana
Sarojini, B. K.
Imran, U. A.
Krishna, B.G.
author_facet Fun, Hoong-Kun
Arshad, Suhana
Sarojini, B. K.
Imran, U. A.
Krishna, B.G.
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(17)H(10)Cl(2)N(4)OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H⋯O hydrogen bonds link the mol­ecules, forming inversion dimers with an R (2) (2)(18) graph-set motif. A short S⋯N contact of 2.801 (3) Å is observed between the dimers.
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spelling pubmed-33793252012-06-20 3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one Fun, Hoong-Kun Arshad, Suhana Sarojini, B. K. Imran, U. A. Krishna, B.G. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(10)Cl(2)N(4)OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509 (8) and 0.491 (8). The planar 4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048 (3) Å] forms dihedral angles of 76.9 (5), 74.9 (5) and 9.88 (12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C—H⋯O hydrogen bonds link the mol­ecules, forming inversion dimers with an R (2) (2)(18) graph-set motif. A short S⋯N contact of 2.801 (3) Å is observed between the dimers. International Union of Crystallography 2012-05-16 /pmc/articles/PMC3379325/ /pubmed/22719523 http://dx.doi.org/10.1107/S1600536812021253 Text en © Fun 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
Fun, Hoong-Kun
Arshad, Suhana
Sarojini, B. K.
Imran, U. A.
Krishna, B.G.
3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
title 3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
title_full 3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
title_fullStr 3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
title_full_unstemmed 3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
title_short 3-Benzyl-7-(2,4-dichloro­phen­yl)-4H-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
title_sort 3-benzyl-7-(2,4-dichloro­phen­yl)-4h-1,3,4-thia­diazolo[2,3-c][1,2,4]triazin-4-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379325/
https://www.ncbi.nlm.nih.gov/pubmed/22719523
http://dx.doi.org/10.1107/S1600536812021253
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