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N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]benzohydrazide monohydrate.

ABSTRACT: The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286?(2)?Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02?(3)°] and the phenyl ring exhibits a dihedral angle of 14.41?(10)° with respect to the central unit. The crystal structure features O-H?N, N-H?O and O-H?O hydrogen-bond inter-actions between the solvent water and the benzohydrazide mol-ecules, as well as C-H?O hydrogen bonds and C-F?? [3.0833?(18)?Å] inter-actions.

SUBMITTER: Nair Y

PROVIDER: S-EPMC3435726 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]benzohydrazide monohydrate.

Nair Yamuna Y Sithambaresan M M Kurup M R Prathapachandra MR

Acta crystallographica. Section E, Structure reports online 20120815 Pt 9

The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°] and the phenyl ring exhibits a dihedral angle of 14.41 (10)° with respect to the central unit. The crystal structure features O-H⋯N, N-H⋯O and O-H⋯O hydrogen-bond inter-actions between the solvent wat ...[more]

PMID: 22969597

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