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3-(4-Nitro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26?(13) and 9.5?(3)°, respectively, with the phenyl ring. In the crystal, the mol-ecules are linked via pairs of N-H?S hydrogen bonds, generating [010] chains which contain R(2) (2) (8) ring motifs. The crystal structure is further stabilized by ?-? stacking [centroid-centroid distance = 3.5491?(14)?Å] inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3200626 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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3-(4-Nitro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Quah Ching Kheng CK Nithinchandra Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26 (13) and 9.5 (3)°, respectively, with the phenyl ring. In the crystal, the mol-ecules are linked via pairs of N-H⋯S hydrogen bonds, generating [010] chains which contain R(2) (2) (8) ring motifs. The crystal structure is further stabilized by π-π stacking [centroid-centroid distance = 3.5491 (14) Å] inter-actions. ...[more]

PMID: 22065655

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