ScholarLens Back to search
2017•Acta Crystallographica Section E Crystallographic CommunicationsOpen access

Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide

S. Naveen, A. Sudha, Eringathodi Suresh, N.K. Lokanath, P.A. Suchetan, Muneer Abdoh

Open full text 0 citations

Abstract

The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide, (I), and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide, (II), are described (molecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent molecules [(IA) and (IB)], while that of (II) contains one molecule. The benzoic acid aromatic ring of molecule (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 interactions generate three-dimensional networks.

Open-access reader

About this research paper

What this paper is about

The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide, (I), and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide, (II), are described (molecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent molecules [(IA) and (IB)], while that of (II) contains one molecule. The benzoic acid aromatic ring of molecule (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 interactions generate three-dimensional networks.

Why it matters

A significance statement is not available in the OpenAlex record.

Key contribution

A contribution statement is not available in the OpenAlex record.

Method / approach

Method details are not available in the OpenAlex metadata.

Main findings

Findings are not separately available in the OpenAlex metadata.

Limitations

Limitations are not available in the OpenAlex metadata.

Applications

Application details are not available in the OpenAlex metadata.

Available abstract

The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide, (I), and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide, (II), are described (molecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent molecules [(IA) and (IB)], while that of (II) contains one molecule. The benzoic acid aromatic ring of molecule (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 interactions generate three-dimensional networks.

Key concepts: Benzamide, Sulfonyl, Dihedral angle, Chemistry, Molecule, Benzene, Benzoic acid, Crystal structure

Related papers

Related paper 1Related paper 2
Back to paper searchBrowse research topicsOriginal source
Crystal structures of isomeric 4-bromo-N-[(2-nitrophenyl)sulfonyl]benzamide and 4-bromo-N-[(4-nitrophenyl)sulfonyl]benzamide — Research Paper | ScholarLens