N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide

In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21 (7)°. The amino group adopts a pyramidal configuration. An intra­molecular N—H⋯O hydrogen bond stabilizes the mol­ecular structure and generates an S(8) ring. In the crystal, mol­ecule...

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Autores principales: Fun, Hoong-Kun, Yeap, Chin Sing, Mange, Yatin, Isloor, Arun M., Hegde, Chitrakar
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983242/
https://www.ncbi.nlm.nih.gov/pubmed/21587498
http://dx.doi.org/10.1107/S1600536810035014
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author Fun, Hoong-Kun
Yeap, Chin Sing
Mange, Yatin
Isloor, Arun M.
Hegde, Chitrakar
author_facet Fun, Hoong-Kun
Yeap, Chin Sing
Mange, Yatin
Isloor, Arun M.
Hegde, Chitrakar
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21 (7)°. The amino group adopts a pyramidal configuration. An intra­molecular N—H⋯O hydrogen bond stabilizes the mol­ecular structure and generates an S(8) ring. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O, N—H⋯S, N—H⋯N and C—H⋯S hydrogen bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic π–π stacking inter­actions [centroid–centroid distance = 3.3330 (7) Å].
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spelling pubmed-29832422010-12-30 N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide Fun, Hoong-Kun Yeap, Chin Sing Mange, Yatin Isloor, Arun M. Hegde, Chitrakar Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(13)N(5)OS, the dihedral angle between the triazole ring and the benzene ring is 84.21 (7)°. The amino group adopts a pyramidal configuration. An intra­molecular N—H⋯O hydrogen bond stabilizes the mol­ecular structure and generates an S(8) ring. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O, N—H⋯S, N—H⋯N and C—H⋯S hydrogen bonds into layers lying parallel to the bc plane. The crystal structure is further stabilized by aromatic π–π stacking inter­actions [centroid–centroid distance = 3.3330 (7) Å]. International Union of Crystallography 2010-09-04 /pmc/articles/PMC2983242/ /pubmed/21587498 http://dx.doi.org/10.1107/S1600536810035014 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
Yeap, Chin Sing
Mange, Yatin
Isloor, Arun M.
Hegde, Chitrakar
N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
title N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
title_full N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
title_fullStr N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
title_full_unstemmed N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
title_short N-[(4-Amino-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
title_sort n-[(4-amino-5-sulfanyl­idene-4,5-dihydro-1h-1,2,4-triazol-3-yl)meth­yl]-4-methyl­benzamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983242/
https://www.ncbi.nlm.nih.gov/pubmed/21587498
http://dx.doi.org/10.1107/S1600536810035014
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