Li Yu-Feng
Microscale Science Institute, Department of Chemistry and Chemical Engineering, Weifang University, Weifang 261061, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2575. doi: 10.1107/S160053681103515X. Epub 2011 Sep 14.
The title compound, C(15)H(16)ClN(5)O, contains two mol-ecules, A and B, in the asymmetric unit, in which the dihedral angles between the terminal aromatic rings are 42.41 (17) and 45.77 (18)°. The central six-membered ring in both mol-ecules has a chair conformation with equatorial substituents. In the crystal, mol-ecules are linked into [100] C(4) chains of alternating A and B mol-ecules by N-H⋯O hydrogen bonds.
标题化合物C(15)H(16)ClN(5)O的不对称单元中包含两个分子A和B,其中末端芳环之间的二面角分别为42.41 (17)°和45.77 (18)°。两个分子中的中央六元环均呈椅式构象,取代基位于赤道平面。在晶体中,分子通过N-H⋯O氢键连接成由A和B分子交替排列的[100] C(4)链。