Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

The title compound, C10H9FN4S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H...S hydrogen bond, which clos...

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Bibliographic Details
Main Authors: P. S. Manjula, B. K. Sarojini, B. Narayana, K. Byrappa, S. Madan Kumar
Format: Article
Language:English
Published: International Union of Crystallography 2015-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
1,2,4-triazole-5(4H)-thione
fluorobenzene
C—H...S hydrogen bond
N—H...S hydrogen bond
π–π stacking contacts
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015020125
Description
Summary:The title compound, C10H9FN4S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H...S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H...S hydrogen bonds occur, generating R22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed.
ISSN:2056-9890

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