N'-(2,6-二甲基苯基)苯甲脒四氢呋喃单溶剂合物的晶体结构
Crystal structure of N'-(2,6-di-methyl-phen-yl)benzene-carboximidamide tetra-hydro-furan monosolvate.
作者信息
Zhao Jian-Ping, Liu Rui-Qin, Jiang Zhi-Hao, Bai Sheng-Di
机构信息
Institute of Applied Chemistry, Shanxi University, Taiyuan 030006, People's Republic of China.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o28-9. doi: 10.1107/S2056989014026255.
The asymmetric unit of the title compound, C15H16N2·C4H8O, contains two amidine mol-ecules (A and B) with slightly different conformations and two tetra-hydro-furan (THF) solvent mol-ecules. In the amidine mol-ecules, the di-methyl-phenyl ring and the NH2 group lie to the same side of the N=C bond and the dihedral angles between the aromatic rings are 54.25 (7) (mol-ecule A) and 58.88 (6) ° (mol-ecule B). In the crystal, N-H⋯N hydrogen bonds link the amidine mol-ecules into [100] C(4) chains of alternating A and B mol-ecules. Both amidine mol-ecules form an N-H⋯O hydrogen bond to an adjacent THF solvent mol-ecule.
标题化合物C15H16N2·C4H8O的不对称单元包含两个构象略有不同的脒分子（A和B）以及两个四氢呋喃（THF）溶剂分子。在脒分子中，二甲基苯环和NH2基团位于N = C键的同一侧，芳香环之间的二面角分别为54.25 (7)°（分子A）和58.88 (6)°（分子B）。在晶体中，N-H⋯N氢键将脒分子连接成由A和B分子交替排列的[100] C(4)链。两个脒分子均与相邻的THF溶剂分子形成N-H⋯O氢键。
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