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4-{[(1,3-Benzothia-zolium-2-yl)hydra-zono](phen-yl)meth-yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate.

ABSTRACT: The title compound, C(24)H(19)N(5)OS·H(2)O, was synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl-pyrazol-5-one and 2-hydrazino-1,3-benzothia-zole. Proton transfer leads to the formation of a zwitterionic structure and the mol-ecule exists in the enolate form. The pyrazolone ring makes dihedral angles of 35.4?(3), 69.7?(3) and 40.1?(3)° with the 1-phenyl, indirectly bound phenyl and benzothia-zole ring systems, respectively. The mol-ecules are linked into one-dimensional chains by a combination of N-H?O, O-H?N and O-H?O hydrogen bonds.

SUBMITTER: Sun YF 

PROVIDER: S-EPMC2961026 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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4-{[(1,3-Benzothia-zolium-2-yl)hydra-zono](phen-yl)meth-yl}-3-methyl-1-phenyl-1H-pyrazol-5-olate monohydrate.

Sun Yi-Feng YF   Cui Yi-Ping YP  

Acta crystallographica. Section E, Structure reports online 20080312 Pt 4

The title compound, C(24)H(19)N(5)OS·H(2)O, was synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl-pyrazol-5-one and 2-hydrazino-1,3-benzothia-zole. Proton transfer leads to the formation of a zwitterionic structure and the mol-ecule exists in the enolate form. The pyrazolone ring makes dihedral angles of 35.4 (3), 69.7 (3) and 40.1 (3)° with the 1-phenyl, indirectly bound phenyl and benzothia-zole ring systems, respectively. The mol-ecules are linked into one-dimensional chains by a com  ...[more]

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