Kumarasinghe Isuru R, Hruby Victor J, Nichol Gary S
Department of Chemistry, The University of Arizona, 1306 E. University Boulevard, Tucson, AZ 85721, USA.
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):o1170. doi: 10.1107/S1600536809015463.
The synthesis of the title compound, C(16)H(15)N(3)O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxy-benzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An inter-molecular N-H⋯N hydrogen bond links symmetry-related mol-ecules into a C(5) chain, which runs parallel to the b axis.
标题化合物C(16)H(15)N(3)O的合成具有区域特异性，单晶X射线衍射是进行明确结构分析的唯一手段，苯环与亚胺C原子相连。苯环和基本呈平面状（均方根偏差为0.0354 Å）的甲氧基苯基团分别相对于中心吡唑环旋转了29.41(5)°和37.01(5)°。分子间的N-H⋯N氢键将对称相关的分子连接成一条与b轴平行的C(5)链。
