2-Chloro-N-(4-nitrobenzoyl)benzenesulfonamide

Abstract

In the title compound, C13H9ClN2O5S, the N—H bond is trans to the C=O bond. The dihedral angle between the two aromatic rings is 85.4 (1)°. In the crystal, mol­ecules are linked into zigzag C(4) chains along the b axis through N—H⋯O hydrogen bonds.

Monomer spectroscopic analysis and dimer interaction energies on N-(4-methoxybenzoyl)-2-methylbenzenesulfonamide by experimental and theoretical approaches

“…Benzene sulfonamides are also used in the synthesis of photo chemicals, dyes and antiseptics [17]. Suchetan et al [18][19][20] have studied on synthesis and crystallizations of the several methylbenzene sulfonamide derivatives, especially the dihedral angles between the two aromatic rings. Also, electronic structure and vibration analyses of the compounds comprising benzene sulfonamide moiety by experimental and theoretical approach are available in the literature [21,22].…”

“…The N-H stretching mode has been calculated at 3399, 3362 cm -1 (B3LYP)/3462, 3424 cm -1 (HF) and the S-O stretching mode is at 1261 cm -1 (B3LYP)/1283 cm -1 (HF) with major PED% contributions for gliclazide molecule containing sulfonamide moiety[20].The S-O stretching modes have been assigned to 1262(IR) cm -1 and calculated at 1261 cm -1 (B3LYP), 1277 cm -1 (HF) for the title compound. The O-C stretching vibration in sulfonamide moiety has been computed at 1669 cm -1 (B3LYP) and 1754 cm -1 (HF) with PED contribution of in the range of 83%.…”