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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 YF, Cui YP - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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.

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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.

No MeSH data available.


The chain structure formed via hydrogen bonds, indicated by dashed lines.
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Fap2: The chain structure formed via hydrogen bonds, indicated by dashed lines.


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

Sun YF, Cui YP - Acta Crystallogr Sect E Struct Rep Online (2008)

The chain structure formed via hydrogen bonds, indicated by dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961026&req=5

Fap2: The chain structure formed via hydrogen bonds, indicated by dashed lines.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.