Gowda B Thimme, Tokarčík Miroslav, Kožíšek Jozef, Sowmya B P, Fuess Hartmut
Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 16;64(Pt 2):o462. doi: 10.1107/S1600536808001311.
The conformation of the N-H bond in the structure of the title compound (N3CPBA), C(13)H(10)ClNO, is anti to the meta chloro substituent in the aniline benzene ring, similar to that observed with respect to the ortho chloro substituent in N-(2-chloro-phen-yl)benzamide (N2CPBA) and meta chloro substituent in N-(3,4-dichloro-phen-yl)benzamide (N34DCPBA), but in contrast to the syn conformation observed with respect to both the ortho and the meta chloro substituents in N-(2,3-dichloro-phen-yl)benzamide (N23DCPBA). The bond parameters in N3CPBA are similar to those in N-phenyl-benzamide, N2CPBA, N23DCPBA, N34DCPBA and other benzanilides. The amide group -NHCO- makes a dihedral angle of 18.2 (2)° with the benzoyl ring, while the dihedral angle between the two benzene rings is 61.0 (1)°. The mol-ecules are linked into chains along the b axis by N-H⋯O hydrogen bonds.
标题化合物（N3CPBA），即C(13)H(10)ClNO的结构中，N - H键的构象与苯胺苯环上的间位氯取代基呈反式，这与在N-(2-氯苯基)苯甲酰胺（N2CPBA）中相对于邻位氯取代基以及在N-(3,4-二氯苯基)苯甲酰胺（N34DCPBA）中相对于间位氯取代基所观察到的情况相似，但与在N-(2,3-二氯苯基)苯甲酰胺（N23DCPBA）中相对于邻位和间位氯取代基均观察到的顺式构象相反。N3CPBA中的键参数与N-苯基苯甲酰胺、N2CPBA、N23DCPBA、N34DCPBA及其他苯甲酰苯胺中的键参数相似。酰胺基团 -NHCO- 与苯甲酰环形成的二面角为18.2 (2)°，而两个苯环之间的二面角为61.0 (1)°。分子通过N - H⋯O氢键沿b轴连接成链。
