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N-(2,4-Dichloro-phen-yl)benzamide.

ABSTRACT: The conformations of the N-H and C=O bonds in the structure of the title compound, C(13)H(9)Cl(2)NO, are anti to each other, similar to that observed in N-phenyl-benzamide, N-(2-chloro-phen-yl)benzamide, N-(4-chloro-phen-yl)benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and other benzanilides. The amide -NHCO- group forms a dihedral angle of 33.0?(2)° with the benzoyl ring, while the rings are almost coplanar, making a dihedral angle of 2.6?(2)°). The mol-ecules are linked by N-H?O hydrogen bonds into infinite chains running along the b axis.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2961566 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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N-(2,4-Dichloro-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 20080503 Pt 6

The conformations of the N-H and C=O bonds in the structure of the title compound, C(13)H(9)Cl(2)NO, are anti to each other, similar to that observed in N-phenyl-benzamide, N-(2-chloro-phen-yl)benzamide, N-(4-chloro-phen-yl)benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and other benzanilides. The amide -NHCO- group forms a dihedral angle of 33.0 (2)° with the benzoyl ring, while the rings are almost coplanar, making a dihedral angle of 2.6 (2)°). The mol-ecules ...[more]

PMID: 21202684

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N-(2,6-Dichloro-phen-yl)benzamide.

Project description:The conformation of the N-H and C=O bonds in the structure of the title compound (N26DCPBA), C(13)H(9)Cl(2)NO, are anti to each other, similar to that observed in N-phenyl-benzamide (NPBA), N-(2-chloro-phen-yl)benzamide (N2CPBA), N-(2,3-dichloro-phen-yl)benzamide (N23DCPBA) and other benzanilides. The asymmetric unit of N26DCPBA contains two mol-ecules. The bond parameters in N26DCPBA are similar to those in NPBA, N2CPBA, N23DCPBA and other benzanilides. The amide group, -NHCO-, makes a dihedral angle of 30.8?(1)° with the benzoyl ring in the first mol-ecule and 35.1?(2)° in the second mol-ecule of the asymmetric unit. The dihedral angle between the two benzene rings (benzoyl and aniline) is 56.8?(1)° in the first mol-ecule and 59.1?(1)° in the second mol-ecule. N-H?O hydrogen bonds give rise to infinite chains running along the a axis of the crystal structure.

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Project description:In the title compound, C(12)H(7)Cl(4)NO(2)S, the N-H bond in the C-SO(2)-NH-C segment is syn with respect to the ortho-Cl atom of the sulfonyl-benzene ring and one of the meta-Cl atoms of the aniline ring. The C-SO(2)-NH-C torsion angle is -93.9?(2)°. The benzene rings are tilted relative to each other by 61.9?(1)°. The crystal structure features inversion-related dimers linked by pairs of N-H?O hydrogen bonds.

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