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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2012-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536812000785 |
| Summary: | 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. |
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| ISSN: | 1600-5368 |