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Crystal structures of isomeric 4-bromo-N-[(2-nitro-phen-yl)sulfon-yl]benzamide and 4-bromo-N-[(4-nitro-phen-yl)sulfon-yl]benzamide.

ABSTRACT: The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitro-phen-yl)sulfon-yl]benzamide, (I), and 4-bromo-N-[(4-nitro-phen-yl)sulfon-yl]benzamide, (II), are described (mol-ecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent mol-ecules [(IA) and (IB)], while that of (II) contains one mol-ecule. The benzoic acid aromatic ring of mol-ecule (IA) is disordered due to rotation about the Car-C(=O) bond over two orientations in a 0.525 (9):0.475 (9) ratio. The dihedral angle between the benzene rings is 85.9 (3)° in (IA) and 65.22 (19)° in (IB), while in (II), the corresponding value is 56.7 (7)°. In the crystals of (I) and (II), N-H⋯O, C-H⋯O and C-H⋯π inter-actions generate three-dimensional networks.

SUBMITTER: Naveen S 

PROVIDER: S-EPMC5347043 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature

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Crystal structures of isomeric 4-bromo-<i>N</i>-[(2-nitro-phen-yl)sulfon-yl]benzamide and 4-bromo-<i>N</i>-[(4-nitro-phen-yl)sulfon-yl]benzamide.

Naveen S S   Sudha A G AG   Suresha E E   Lokanath N K NK   Suchetan P A PA   Abdoh M M  

Acta crystallographica. Section E, Crystallographic communications 20170203 Pt 3

The syntheses and crystal structures of the isomeric 4-bromo-<i>N</i>-[(2-nitro-phen-yl)sulfon-yl]benzamide, (I), and 4-bromo-<i>N</i>-[(4-nitro-phen-yl)sulfon-yl]benzamide, (II), are described (mol-ecular formula = C<sub>13</sub>H<sub>9</sub>BrN<sub>2</sub>O<sub>5</sub>S in each case). The asymmetric unit of (I) contains two independent mol-ecules [(I<i>A</i>) and (I<i>B</i>)], while that of (II) contains one mol-ecule. The benzoic acid aromatic ring of mol-ecule (I<i>A</i>) is disordered due t  ...[more]

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