4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione

The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol­ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol­ecule A and 77.60 (5)° in mol­ecule...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Liew, Wei-Ching, Vijesh, A. M., Padaki, Mahesh, Isloor, Arun M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977493/
https://www.ncbi.nlm.nih.gov/pubmed/21583598
http://dx.doi.org/10.1107/S1600536809027275
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author Fun, Hoong-Kun
Liew, Wei-Ching
Vijesh, A. M.
Padaki, Mahesh
Isloor, Arun M.
author_facet Fun, Hoong-Kun
Liew, Wei-Ching
Vijesh, A. M.
Padaki, Mahesh
Isloor, Arun M.
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol­ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol­ecule A and 77.60 (5)° in mol­ecule B. In the crystal, mol­ecules are linked into a three-dimensional network by N—H⋯S, N—H⋯O, N—H⋯N and C—H⋯S hydrogen bonds and π–π inter­actions between the benzene and triazole rings [centroid–centroid distance = 3.5311 (6) Å] are also present.
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spelling pubmed-29774932010-12-30 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Liew, Wei-Ching Vijesh, A. M. Padaki, Mahesh Isloor, Arun M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(10)H(12)N(4)OS, contains two independent mol­ecules, A and B, which differ significantly in the relative orientations of the benzene and triazole rings. The dihedral angle between the above two rings is 6.94 (5)° in mol­ecule A and 77.60 (5)° in mol­ecule B. In the crystal, mol­ecules are linked into a three-dimensional network by N—H⋯S, N—H⋯O, N—H⋯N and C—H⋯S hydrogen bonds and π–π inter­actions between the benzene and triazole rings [centroid–centroid distance = 3.5311 (6) Å] are also present. International Union of Crystallography 2009-07-18 /pmc/articles/PMC2977493/ /pubmed/21583598 http://dx.doi.org/10.1107/S1600536809027275 Text en © Fun et al. 2009 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
Liew, Wei-Ching
Vijesh, A. M.
Padaki, Mahesh
Isloor, Arun M.
4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione
title 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_short 4-Amino-3-(o-tolyl­oxymeth­yl)-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-amino-3-(o-tolyl­oxymeth­yl)-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977493/
https://www.ncbi.nlm.nih.gov/pubmed/21583598
http://dx.doi.org/10.1107/S1600536809027275
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