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N-(3,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

ABSTRACT: In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the SO bonds. The two benzene rings are tilted by 79.6?(1)° relative to each other. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2970379 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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N-(3,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Gowda B Thimme BT Foro Sabine S Nirmala P G PG Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

In the crystal structure of the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment is gauche with respect to the SO bonds. The two benzene rings are tilted by 79.6 (1)° relative to each other. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur. ...[more]

PMID: 21577805

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N-(3,5-Dichloro-phen-yl)benzene-sulfonamide.

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Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3?(6)° in (I), 42.1?(2)° in (II) and 54.4?(3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H?O hydrogen bonds and C-H?? inter-actions. The crystal structure of (I) features N-H?O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H?O inter-actions, forming a three-dimensional architecture. The structure also features ?-? inter-actions [Cg?Cg = 3.6970?(14)?Å]. In (II), N-H?O hydrogen-bonded R22(8) loops are inter-connected via ?-? inter-actions [inter-centroid distance = 3.606?(3)?Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H?O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H?? inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset ?-? inter-actions [inter-centroid distance = 3.8303?(16)?Å] to form a three-dimensional architecture.

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Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment has gauche torsions with respect to the S=O bonds. The mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 64.3?(4)°. Furthermore, the conformation of the N-H bond and the meta-chloro group in the adjacent benzene ring are anti to each other. The two benzene rings are tilted relative to each other by 82.5?(1)°. In the crystal, mol-ecules are linked by pairs of N-H?O(S) hydrogen bonds, forming inversion dimers.

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N-(2,5-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(13)H(11)Cl(2)NO(2)S, the N-C bond in the C-SO(2)-NH-C segment has gauche torsion angles with respect to the S=O bonds. The mol-ecule is bent at the S atom with an C-SO(2)-NH-C torsion angle of 62.1?(2)°. Furthermore, the conformation of the N-H bond is syn to the ortho-chloro group in the adjacent benzene ring. The benzene rings are tilted by 67.8?(1)° relative to each other. The crystal structure features dimers linked by N-H?O hydrogen bonds. An intra-molecular N-H?Cl hydrogen bond is also observed.

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