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4-[(E)-2-Furylmethyl-eneamino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: In the title mol-ecule, C(13)H(10)N(4)OS, the triazole ring makes dihedral angles of 16.14?(9) and 58.51?(11)°, respectively, with the phenyl and furan rings. Intra-molecular C-H?N hydrogen bonds generate S(5) and S(6) ring motifs. In the crystal structure, centrosymmetrically related mol-ecules are linked via N-H?S hydrogen bonds to form dimeric pairs, which are inter-linked via C-H?O and C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2962152 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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4-[(E)-2-Furylmethyl-eneamino]-3-phenyl-1H-1,2,4-triazole-5(4H)-thione.

Fun Hoong-Kun HK Jebas Samuel Robinson SR Sujith K V KV Patil P S PS Kalluraya B B Dharmaprakash S M SM

Acta crystallographica. Section E, Structure reports online 20080719 Pt 8

In the title mol-ecule, C(13)H(10)N(4)OS, the triazole ring makes dihedral angles of 16.14 (9) and 58.51 (11)°, respectively, with the phenyl and furan rings. Intra-molecular C-H⋯N hydrogen bonds generate S(5) and S(6) ring motifs. In the crystal structure, centrosymmetrically related mol-ecules are linked via N-H⋯S hydrogen bonds to form dimeric pairs, which are inter-linked via C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21203234

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