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4-Chloro-N-(2,6-dimethyl-phen-yl)benzamide.


ABSTRACT: 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.

SUBMITTER: Gowda BT 

PROVIDER: S-EPMC2961789 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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4-Chloro-N-(2,6-dimethyl-phen-yl)benzamide.

Gowda B Thimme BT   Tokarčík Miroslav M   Kožíšek Jozef J   Sowmya B P BP   Fuess Hartmut H  

Acta crystallographica. Section E, Structure reports online 20080628 Pt 7


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 dih  ...[more]

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