Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol

Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol

In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in c...

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Bibliographic Details
Main Authors: Yong-Le Zhang, Chuang Zhang, Wei Guo, Jing Wang
Format: Article
Language:English
Published: International Union of Crystallography 2014-10-01
Series:Acta Crystallographica Section E
Subjects:
crystal structure
1,2,4-triazole derivative
hydrogen bonding
π–π stacking
biological activity
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814019965
Description
Summary:In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H...N hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.
ISSN:1600-5368

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