Reshma P R, Sithambaresan M, Kurup M R Prathapachandra
Department of Applied Chemistry, Cochin University of Science and Technology, Kochi 682 022, India.
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2821-2. doi: 10.1107/S1600536812033806. Epub 2012 Sep 1.
In the title compound, C(16)H(15)BrN(2)O(4)·H(2)O, the hydrazide mol-ecule is nearly planar, with a largest deviation from the mean plane through the non-H atoms of 0.106 (4) Å and a dihedral angle between the benzene rings of 1.98 (16)°. This mol-ecule adopts an E conformation about the C=N bond and an intra-molecular O-H⋯N hydrogen bond increases the rigidity. In the crystal, some mol-ecules of the title hydrazide are replaced by mol-ecules of its 6-bromo isomer, and the Br atom from this admixture mol-ecule was refined to give a partial occupancy of 0.0523 (13). The hydrazide and water mol-ecules are linked through classical N-H⋯O and O-H⋯O hydrogen bonds, forming layers parallel to (110). C-H⋯π inter-actions are also present.
在标题化合物C₁₆H₁₅BrN₂O₄·H₂O中，酰肼分子近乎平面，非氢原子偏离平均平面的最大距离为0.106(4) Å，苯环之间的二面角为1.98(16)°。该分子围绕C=N键呈E构型，分子内的O-H⋯N氢键增加了刚性。在晶体中，标题酰肼的一些分子被其6-溴异构体的分子取代，该混合分子中的Br原子经精修得到的部分占有率为0.0523(13)。酰肼分子和水分子通过经典的N-H⋯O和O-H⋯O氢键相连，形成平行于(110)的层。同时还存在C-H⋯π相互作用。
