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Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl-ate monohydrate.

ABSTRACT: In the title compound, C(18)H(16)N(4)O(3)·H(2)O, the dihedral angles between the triazole ring and the phenyl rings are 84.8?(4) and and 39.8?(4)°. The phenyl rings make a dihedral angle of 84.5?(9)°. In the crystal, the molecules are linked by N-H?O and O-H?N hydrogen bonds. An intra-molecular O?N inter-action also occurs [2.827?(3)?Å].

SUBMITTER: Wang L

PROVIDER: S-EPMC3100036 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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Ethyl 4-benzamido-5-phenyl-4H-1,2,4-triazole-3-carboxyl-ate monohydrate.

Wang Li L Liu Xue-Ying XY Wang Ping-An PA Liu Peng P Zhang Sheng-Yong SY

Acta crystallographica. Section E, Structure reports online 20110323 Pt 4

In the title compound, C(18)H(16)N(4)O(3)·H(2)O, the dihedral angles between the triazole ring and the phenyl rings are 84.8 (4) and and 39.8 (4)°. The phenyl rings make a dihedral angle of 84.5 (9)°. In the crystal, the molecules are linked by N-H⋯O and O-H⋯N hydrogen bonds. An intra-molecular O⋯N inter-action also occurs [2.827 (3) Å]. ...[more]

PMID: 21754215

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