Xia Liang-You, Wang Wen-Long, Wang Shan-Heng, Huang Yan-Lan, Shan Shang
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1900. doi: 10.1107/S1600536809027329.
Crystals of the title compound, C(15)H(12)N(4)O·H(2)O, were obtained from a condensation reaction of isonicotinylhydrazine and 3-indolylformaldehyde. The mol-ecule assumes an E configuration, with the isonicotinoylhydrazine and indole units located on the opposite sites of the C=N double bond. In the mol-ecular structure the pyridine ring is twisted with respect to the indole ring system, forming a dihedral angle of 44.72 (7)°. Extensive classical N-H⋯N, N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonding and weak C-H⋯O inter-actions are present in the crystal structure.
标题化合物C(15)H(12)N(4)O·H(2)O的晶体是通过异烟酰肼与3-吲哚甲醛的缩合反应得到的。分子呈E构型，异烟酰肼和吲哚单元位于C=N双键的相对位置。在分子结构中，吡啶环相对于吲哚环系发生扭曲，形成的二面角为44.72 (7)°。晶体结构中存在广泛的经典N-H⋯N、N-H⋯O、O-H⋯O和O-H⋯N氢键以及弱的C-H⋯O相互作用。
