4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone

In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate) compound, C(21)H(16)ClN(5)O(4)S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11)° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9)°. There is an intra­molecular C—H⋯S hydrogen bond, whi...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Hemamalini, Madhukar, Nithinchandra, Kalluraya, Balakrishna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099780/
https://www.ncbi.nlm.nih.gov/pubmed/21754104
http://dx.doi.org/10.1107/S1600536811007689
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author Fun, Hoong-Kun
Hemamalini, Madhukar
Nithinchandra,
Kalluraya, Balakrishna
author_facet Fun, Hoong-Kun
Hemamalini, Madhukar
Nithinchandra,
Kalluraya, Balakrishna
author_sort Fun, Hoong-Kun
collection PubMed
description In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate) compound, C(21)H(16)ClN(5)O(4)S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11)° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9)°. There is an intra­molecular C—H⋯S hydrogen bond, which generates an S(5) ring motif. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R (2) (2)(20) loops. The dimers are connected by C—H⋯N and C—H⋯O hydrogen bonds.
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spelling pubmed-30997802011-07-13 4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone Fun, Hoong-Kun Hemamalini, Madhukar Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate) compound, C(21)H(16)ClN(5)O(4)S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11)° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9)°. There is an intra­molecular C—H⋯S hydrogen bond, which generates an S(5) ring motif. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R (2) (2)(20) loops. The dimers are connected by C—H⋯N and C—H⋯O hydrogen bonds. International Union of Crystallography 2011-03-09 /pmc/articles/PMC3099780/ /pubmed/21754104 http://dx.doi.org/10.1107/S1600536811007689 Text en © Fun et al. 2011 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
Hemamalini, Madhukar
Nithinchandra,
Kalluraya, Balakrishna
4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
title 4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
title_full 4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
title_fullStr 4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
title_full_unstemmed 4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
title_short 4-({[6-(4-Chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
title_sort 4-({[6-(4-chloro­benz­yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan­yl}acetyl)-3-phenyl­sydnone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099780/
https://www.ncbi.nlm.nih.gov/pubmed/21754104
http://dx.doi.org/10.1107/S1600536811007689
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AT nithinchandra 464chlorobenzyl4methyl5oxo45dihydro124triazin3ylsulfanylacetyl3phenylsydnone
AT kallurayabalakrishna 464chlorobenzyl4methyl5oxo45dihydro124triazin3ylsulfanylacetyl3phenylsydnone

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