Abstract
In the structure of the title compound (N2CP2MBA), C14H12ClNO, the conformations of the N—H and C=O bonds are trans to each other. Furthermore, the conformation of the N—H bond is syn to the ortho-chloro group in the aniline ring and the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring, similar to what is observed in 2-chloro-N-(2-chlorophenyl)benzamide and 2-methyl-N-phenylbenzamide. The amide group makes almost the same dihedral angles of 41.2 (14) and 42.2 (13)° with the aniline and benzoyl rings, respectively, while the dihedral angle between the benzoyl and aniline rings is only 7.4 (3)°. The molecules in N2CP2MBA are packed into chains through N—H⋯O hydrogen bonds.
Highlights
In the structure of the title compound (N2CP2MBA), C14H12ClNO, the conformations of the N—H and C O bonds are trans to each other
The conformation of the N—H bond is syn to the ortho-chloro group in the aniline ring and the C O bond is syn to the ortho-methyl substituent in the benzoyl ring, similar to what is observed in 2-chloro-N-(2-chlorophenyl)benzamide and 2-methyl-Nphenylbenzamide
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 299 K; mean (C–C) = 0.007 A; R factor = 0.068; wR factor = 0.333; data-to-parameter ratio = 13.5. In the structure of the title compound (N2CP2MBA), C14H12ClNO, the conformations of the N—H and C O bonds are trans to each other. The conformation of the N—H bond is syn to the ortho-chloro group in the aniline ring and the C O bond is syn to the ortho-methyl substituent in the benzoyl ring, similar to what is observed in 2-chloro-N-(2-chlorophenyl)benzamide and 2-methyl-Nphenylbenzamide. The amide group makes almost the same dihedral angles of 41.2 (14) and 42.2 (13) with the aniline and benzoyl rings, respectively, while the dihedral angle between the benzoyl and aniline rings is only 7.4 (3). The molecules in N2CP2MBA are packed into chains through N—HÁ Á ÁO hydrogen bonds
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