Nair Yamuna, Sithambaresan M, Kurup M R Prathapachandra
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2709. doi: 10.1107/S1600536812035179. Epub 2012 Aug 15.
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⋯π [3.0833 (18) Å] inter-actions.
标题化合物C(13)H(10)FN(3)O·H(2)O,就偶氮甲烷C=N双键而言以E构型存在。分子接近平面,最大偏差为0.286 (2) Å。吡啶环与中心C(=O)N(2)C单元基本共面[二面角 = 2.02 (3)°],且苯环相对于中心单元呈现出14.41 (10)°的二面角。晶体结构的特征在于溶剂水与苯甲酰肼分子之间存在O-H⋯N、N-H⋯O和O-H⋯O氢键相互作用,以及C-H⋯O氢键和C-F⋯π [3.0833 (18) Å]相互作用。