Gowda B Thimme, Tokarčík Miroslav, Kožíšek Jozef, Sowmya B P, Fuess Hartmut
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 28;64(Pt 7):o1365. doi: 10.1107/S1600536808019120.
The conformations of the N-H and C=O bonds in the structure of the title compound (N26DMP4CBA), C(15)H(14)ClNO, are anti to each other, similar to that observed in N-phenyl-benzamide, N-(3,4-dimethyl-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and other benzanilides. There are three mol-ecules in the asymmetric unit of N26DMP4CBA. The central amide group is tilted with respect to the benzoyl ring by 45.2 (1)° in mol-ecule 1, 21.2 (2)° in mol-ecule 2 and 14.9 (2)° in mol-ecule 3. The dihedral angles between the benzoyl and aniline rings are 39.9 (1), 51.0 (1) and 86.3 (3)° in mol-ecules 1, 2 and 3, respectively. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into infinite chains running along the [101] direction. One xylyl group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.
标题化合物（N26DMP4CBA），化学式为C(15)H(14)ClNO，其结构中N-H键和C=O键的构象相互呈反式，这与在N-苯基苯甲酰胺、N-(3,4-二甲基苯基)苯甲酰胺、N-(2,6-二氯苯基)苯甲酰胺及其他苯酰替苯胺中观察到的情况类似。N26DMP4CBA的不对称单元中有三个分子。在分子1中，中心酰胺基团相对于苯甲酰环倾斜45.2 (1)°，在分子2中倾斜21.2 (2)°，在分子3中倾斜14.9 (2)°。在分子1、2和3中，苯甲酰环与苯胺环之间的二面角分别为39.9 (1)°、51.0 (1)°和86.3 (3)°。分子间的N-H⋯O氢键将分子连接成沿[101]方向延伸的无限链。一个二甲苯基在两个位置上无序；占位因子约为0.6和0.4。
