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4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone

In the title triazolothia­diazine derivative, C(20)H(16)N(6)O(3)S {systematic name: 3-(4-methyl­phen­yl)-4-[3-(phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intra­molecular C—H⋯O hydrogen bond. The 3,6-dihydro...

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Detalles Bibliográficos
Autores principales: Goh, Jia Hao, Fun, Hoong-Kun, Nithinchandra, Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007409/
https://www.ncbi.nlm.nih.gov/pubmed/21588457
http://dx.doi.org/10.1107/S1600536810029910
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author Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Kalluraya, B.
author_facet Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Kalluraya, B.
author_sort Goh, Jia Hao
collection PubMed
description In the title triazolothia­diazine derivative, C(20)H(16)N(6)O(3)S {systematic name: 3-(4-methyl­phen­yl)-4-[3-(phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intra­molecular C—H⋯O hydrogen bond. The 3,6-dihydro-1,3,4-thia­diazine ring adopts a twist-boat conformation. The dihedral angle between the 1,2,3-oxadiazole and 1,2,4-triazole rings is 46.45 (14)°. The 1,2,3-oxadiazole ring is inclined at dihedral angle of 59.49 (13)° with respect to the benzene ring attached to it. In the crystal structure, inter­molecular C—H⋯O and C—H⋯N hydrogen bonds link neighbouring mol­ecules into two-mol­ecule-thick arrays parallel to the bc plane. A short S⋯O inter­action [2.9565 (19) Å] also occurs.
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spelling pubmed-30074092010-12-30 4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title triazolothia­diazine derivative, C(20)H(16)N(6)O(3)S {systematic name: 3-(4-methyl­phen­yl)-4-[3-(phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intra­molecular C—H⋯O hydrogen bond. The 3,6-dihydro-1,3,4-thia­diazine ring adopts a twist-boat conformation. The dihedral angle between the 1,2,3-oxadiazole and 1,2,4-triazole rings is 46.45 (14)°. The 1,2,3-oxadiazole ring is inclined at dihedral angle of 59.49 (13)° with respect to the benzene ring attached to it. In the crystal structure, inter­molecular C—H⋯O and C—H⋯N hydrogen bonds link neighbouring mol­ecules into two-mol­ecule-thick arrays parallel to the bc plane. A short S⋯O inter­action [2.9565 (19) Å] also occurs. International Union of Crystallography 2010-07-31 /pmc/articles/PMC3007409/ /pubmed/21588457 http://dx.doi.org/10.1107/S1600536810029910 Text en © Goh et al. 2010 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
Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Kalluraya, B.
4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
title 4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
title_full 4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
title_fullStr 4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
title_full_unstemmed 4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
title_short 4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
title_sort 4-[3-(phen­oxy­meth­yl)-7h-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007409/
https://www.ncbi.nlm.nih.gov/pubmed/21588457
http://dx.doi.org/10.1107/S1600536810029910
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