Shakuntala K, Vrábel Viktor, Gowda B Thimme, Kožíšek Jozef
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3317. doi: 10.1107/S1600536811047817. Epub 2011 Nov 16.
In the mol-ecular structure of the title compound, C(11)H(10)ClNO(3), the conformation of the N-H bond in the amide segment is syn to the ortho-methyl group in the phenyl ring. The C=O and O-H bonds of the acid group are in the relatively rare anti position with respect to each other. This is an obvious consequence of the hydrogen bond donated to the amide carbonyl group. The central oxobutenoic acid core C(=O)-C=C-C-OH is twisted by 31.65 (6)° out of the plane of the 4-chloro-2-methyl-phenyl ring. An intra-molecular O-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into infinite chains running along the a axis.
在标题化合物C(11)H(10)ClNO(3)的分子结构中，酰胺片段中N - H键的构象与苯环上的邻甲基处于顺式。酸基团的C = O键和O - H键相对于彼此处于相对罕见的反位。这是由于向酰胺羰基提供氢键的明显结果。中心氧代丁烯酸核心C(=O)-C = C - C - OH与4 - 氯 - 2 - 甲基苯环平面扭转了31.65 (6)°。发生了分子内O - H⋯O氢键。在晶体中，N - H⋯O氢键将分子连接成沿a轴延伸的无限链。
