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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)...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3379325 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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