Gowda B Thimme, Foro Sabine, Saraswathi B S, Terao Hiromitsu, Fuess Hartmut
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 28;65(Pt 2):o399. doi: 10.1107/S1600536809002979.
The conformations of the N-H and C=O bonds in the amide segment of the structure of the title compound {systematic name: 3-[(2-chloro-phen-yl)amino-carbon-yl]propionic acid}, C(10)H(10)ClNO(3), are trans to each other, while the conformation of the amide H atom is syn to the ortho-chloro group in the benzene ring. Further, the conformations of the amide O atom and the carbonyl O atom of the ester segment are also trans to the H atoms attached to the adjacent C atoms. In the crystal structure, mol-ecules are packed into infinite chains through inter-molecular N-H⋯O and O-H⋯O hydrogen bonds.
标题化合物{系统命名:3-[(2-氯苯基)氨基甲酰基]丙酸},化学式为C(10)H(10)ClNO(3),其结构中酰胺片段的N-H键和C=O键的构象相互呈反式,而酰胺H原子的构象与苯环中的邻氯基团呈顺式。此外,酯片段的酰胺O原子和羰基O原子的构象也与连接在相邻C原子上的H原子呈反式。在晶体结构中,分子通过分子间的N-H⋯O和O-H⋯O氢键堆积成无限长链。