4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

In the title mol­ecule, C(10)H(9)BrN(4)S, the dihedral angle between the triazole and benzene rings is 12.32 (19)°. An intra­molecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal packing, centrosymmetrically related mol­ecules are linked into a dimer by N—H⋯S hydrogen bonds, and...

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Autores principales: Fun, Hoong-Kun, Jebas, Samuel Robinson, Sujith, K. V., Patil, P. S., Kalluraya, B., Muralidharan, A., Dharmaprakash, S. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962136/
https://www.ncbi.nlm.nih.gov/pubmed/21203218
http://dx.doi.org/10.1107/S1600536808021636
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author Fun, Hoong-Kun
Jebas, Samuel Robinson
Sujith, K. V.
Patil, P. S.
Kalluraya, B.
Muralidharan, A.
Dharmaprakash, S. M.
author_facet Fun, Hoong-Kun
Jebas, Samuel Robinson
Sujith, K. V.
Patil, P. S.
Kalluraya, B.
Muralidharan, A.
Dharmaprakash, S. M.
author_sort Fun, Hoong-Kun
collection PubMed
description In the title mol­ecule, C(10)H(9)BrN(4)S, the dihedral angle between the triazole and benzene rings is 12.32 (19)°. An intra­molecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal packing, centrosymmetrically related mol­ecules are linked into a dimer by N—H⋯S hydrogen bonds, and the dimers are linked into a chain running along [1[Image: see text]1] by Br⋯N short contacts [3.187 (3) Å]. The crystal packing is further strengthened by π–π inter­actions involving the triazole ring [centroid–centroid distance = 3.322 (2) Å].
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spelling pubmed-29621362010-12-30 4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Jebas, Samuel Robinson Sujith, K. V. Patil, P. S. Kalluraya, B. Muralidharan, A. Dharmaprakash, S. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(10)H(9)BrN(4)S, the dihedral angle between the triazole and benzene rings is 12.32 (19)°. An intra­molecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal packing, centrosymmetrically related mol­ecules are linked into a dimer by N—H⋯S hydrogen bonds, and the dimers are linked into a chain running along [1[Image: see text]1] by Br⋯N short contacts [3.187 (3) Å]. The crystal packing is further strengthened by π–π inter­actions involving the triazole ring [centroid–centroid distance = 3.322 (2) Å]. International Union of Crystallography 2008-07-16 /pmc/articles/PMC2962136/ /pubmed/21203218 http://dx.doi.org/10.1107/S1600536808021636 Text en © Fun et al. 2008 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
Jebas, Samuel Robinson
Sujith, K. V.
Patil, P. S.
Kalluraya, B.
Muralidharan, A.
Dharmaprakash, S. M.
4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
title 4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
title_full 4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
title_short 4-[(E)-4-Bromo­benzyl­ideneamino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-[(e)-4-bromo­benzyl­ideneamino]-3-methyl-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962136/
https://www.ncbi.nlm.nih.gov/pubmed/21203218
http://dx.doi.org/10.1107/S1600536808021636
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