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

In the title mol­ecule, C(10)H(12)N(4)SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth­oxy group is approximtely coplanar with the benzene ring with a C C—O—C(meth­yl) torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-...

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Autores principales: Sarojini, B. K., Manjula, P. S., Hegde, Gurumurthy, Kour, Dalbir, Anthal, Sumati, Gupta, Vivek K., Kant, Rajni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648260/
https://www.ncbi.nlm.nih.gov/pubmed/23723880
http://dx.doi.org/10.1107/S1600536813009859
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author Sarojini, B. K.
Manjula, P. S.
Hegde, Gurumurthy
Kour, Dalbir
Anthal, Sumati
Gupta, Vivek K.
Kant, Rajni
author_facet Sarojini, B. K.
Manjula, P. S.
Hegde, Gurumurthy
Kour, Dalbir
Anthal, Sumati
Gupta, Vivek K.
Kant, Rajni
author_sort Sarojini, B. K.
collection PubMed
description In the title mol­ecule, C(10)H(12)N(4)SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth­oxy group is approximtely coplanar with the benzene ring with a C C—O—C(meth­yl) torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-related mol­ecules, which are in turn connected by N—H⋯N hydrogen bonds into chains of rings along [010]. Weak C—H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102).
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spelling pubmed-36482602013-05-30 4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione Sarojini, B. K. Manjula, P. S. Hegde, Gurumurthy Kour, Dalbir Anthal, Sumati Gupta, Vivek K. Kant, Rajni Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(10)H(12)N(4)SO, the triazole ring forms a dihedral angle of 73.0 (5)° with the benzene ring. The meth­oxy group is approximtely coplanar with the benzene ring with a C C—O—C(meth­yl) torsion angle of 4.7 (3)°. In the crystal, N—H⋯S hydrogen bonds connect pairs of inversion-related mol­ecules, which are in turn connected by N—H⋯N hydrogen bonds into chains of rings along [010]. Weak C—H⋯O hydrogen bonds connect these chains into a two-dimensional network parallel to (-102). International Union of Crystallography 2013-04-13 /pmc/articles/PMC3648260/ /pubmed/23723880 http://dx.doi.org/10.1107/S1600536813009859 Text en © Sarojini et al. 2013 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
Sarojini, B. K.
Manjula, P. S.
Hegde, Gurumurthy
Kour, Dalbir
Anthal, Sumati
Gupta, Vivek K.
Kant, Rajni
4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title 4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full 4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_short 4-Amino-3-(3-meth­oxy­benz­yl)-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-amino-3-(3-meth­oxy­benz­yl)-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648260/
https://www.ncbi.nlm.nih.gov/pubmed/23723880
http://dx.doi.org/10.1107/S1600536813009859
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