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4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate

In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth­oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substitute...

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Autores principales: Fun, Hoong-Kun, Hemamalini, Madhukar, Nithinchandra, Kalluraya, Balakrishna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011622/
https://www.ncbi.nlm.nih.gov/pubmed/21589473
http://dx.doi.org/10.1107/S1600536810046155
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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 sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth­oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazole ring and the methoxy-substituted phenyl ring are 80.02 (13), 85.68 (14) and 51.62 (14)°, respectively. In the crystal, mol­ecules are connected via inter­molecular N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming sheets lying parallel to the ac plane.
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spelling pubmed-30116222010-12-30 4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate Fun, Hoong-Kun Hemamalini, Madhukar Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title sydnone compound, C(20)H(18)ClN(7)O(4)S, the oxadiazole, triazole, chloro-substituted and meth­oxy-substituted phenyl rings are essentially planar, with maximum deviations of 0.007 (3), 0.009 (2), 0.017 (2) and 0.002 (3) Å, respectively. The dihedral angles between the chloro-substituted phenyl ring and the triazole ring, the triazole ring and the oxadiazole ring, and the oxadiazole ring and the methoxy-substituted phenyl ring are 80.02 (13), 85.68 (14) and 51.62 (14)°, respectively. In the crystal, mol­ecules are connected via inter­molecular N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming sheets lying parallel to the ac plane. International Union of Crystallography 2010-11-13 /pmc/articles/PMC3011622/ /pubmed/21589473 http://dx.doi.org/10.1107/S1600536810046155 Text en © Fun 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
Fun, Hoong-Kun
Hemamalini, Madhukar
Nithinchandra,
Kalluraya, Balakrishna
4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
title 4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
title_full 4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
title_fullStr 4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
title_full_unstemmed 4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
title_short 4-({[4-Amino-5-(4-chloro­anilinometh­yl)-4H-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
title_sort 4-({[4-amino-5-(4-chloro­anilinometh­yl)-4h-1,2,4-triazol-3-yl]sulfan­yl}acet­yl)-3-(4-meth­oxy­phen­yl)-1,2,3-oxadiazol-3-ium-5-olate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011622/
https://www.ncbi.nlm.nih.gov/pubmed/21589473
http://dx.doi.org/10.1107/S1600536810046155
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