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3-Methyl-sulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine-water (6/1).

ABSTRACT: In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33?(16)°. The solvent water molecule is disordered about a special position with symmetry and its occupancy cannot be greater than 0.1667. The crystal structure is stabilized by inter-molecular N-H?N and C-H?N hydrogen bonds.

SUBMITTER: Wu DZ

PROVIDER: S-EPMC2969018 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

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3-Methyl-sulfanyl-5-phenyl-4H-1,2,4-triazol-4-amine-water (6/1).

Wu Deng-Ze DZ Liu Miao-Chang MC Wu Hua-Yue HY Huang Xiao-Bo XB Li Jian-Jun JJ

Acta crystallographica. Section E, Structure reports online 20090306 Pt 4

In the title compound, 6C(9)H(10)N(4)S·H(2)O, the dihedral angle between the five-membered triazole ring and the phenyl ring is 44.33 (16)°. The solvent water molecule is disordered about a special position with symmetry and its occupancy cannot be greater than 0.1667. The crystal structure is stabilized by inter-molecular N-H⋯N and C-H⋯N hydrogen bonds. ...[more]

PMID: 21582420

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