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

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

In the title compound, C8H7ClN4S, the benzene ring is statistically disordered over two conformations rotated about the Cl—C...C—C axis, which subtend dihedral angles of 24.7 (3) and 9.9 (2) ° with respect to the triazole ring. An...

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Main Authors: Sampath Natarajan, Rita Mathews
Format: Article
Language:English
Published: International Union of Crystallography 2012-02-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812000785
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spelling doaj-de84eddc22a943da95807bd945cf1ad42020-11-24T21:31:45ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-02-01682o443o44310.1107/S16005368120007854-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thioneSampath NatarajanRita MathewsIn the title compound, C8H7ClN4S, the benzene ring is statistically disordered over two conformations rotated about the Cl—C...C—C axis, which subtend dihedral angles of 24.7 (3) and 9.9 (2) ° with respect to the triazole ring. An intramolecular C—H...N close contact occurs. In the crystal, N—H...N and N—H...S hydrogen bonds link the molecules into (001) sheets: R22(8) and R22(10) graph-set motifs result. Weak C—H...N hydrogen bonds and aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.681 (7) Å] complete the structure.http://scripts.iucr.org/cgi-bin/paper?S1600536812000785
collection DOAJ
language English
format Article
sources DOAJ
author Sampath Natarajan
Rita Mathews
spellingShingle Sampath Natarajan
Rita Mathews
4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
Acta Crystallographica Section E
author_facet Sampath Natarajan
Rita Mathews
author_sort Sampath Natarajan
title 4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
title_short 4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
title_full 4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-Amino-3-(4-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-amino-3-(4-chlorophenyl)-1h-1,2,4-triazole-5(4h)-thione
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-02-01
description In the title compound, C8H7ClN4S, the benzene ring is statistically disordered over two conformations rotated about the Cl—C...C—C axis, which subtend dihedral angles of 24.7 (3) and 9.9 (2) ° with respect to the triazole ring. An intramolecular C—H...N close contact occurs. In the crystal, N—H...N and N—H...S hydrogen bonds link the molecules into (001) sheets: R22(8) and R22(10) graph-set motifs result. Weak C—H...N hydrogen bonds and aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.681 (7) Å] complete the structure.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812000785
work_keys_str_mv AT sampathnatarajan 4amino34chlorophenyl1h124triazole54hthione
AT ritamathews 4amino34chlorophenyl1h124triazole54hthione
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