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Crystal structure of (E)-4-methyl-N-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide N,N-di-methyl-formamide monosolvate.

ABSTRACT: The mol-ecule of the title Schiff base compound, C16H16N4O5S·C3H7NO, displays a trans conformation with respect to the C=N double bond. The C-N and N-N bonds are relatively short compared to their normal bond lengths, indicating some degree of delocalization in the mol-ecule. The mol-ecule is bent at the S atom, with an S-N-C-C torsion angle of 164.48?(11)°. The dihedral angle between the two aromatic rings is 84.594?(7)°. Inter-molecular N-H?O and C -H?O hydrogen bonds connect centrosymmetrically related mol-ecules into dimers forming rings of R33(11) and R22(10) graph-set motif stacked along the a axis into a columnar arrangement. The mol-ecular columns are further linked into a three-dimensional network by C-H?? inter-actions.

SUBMITTER: Purandara H

PROVIDER: S-EPMC5683490 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-4-methyl-N-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide N,N-di-methyl-formamide monosolvate.

Purandara H H Foro Sabine S Thimme Gowda B B

Acta crystallographica. Section E, Crystallographic communications 20171020 Pt 11

The mol-ecule of the title Schiff base compound, C16H16N4O5S·C3H7NO, displays a trans conformation with respect to the C=N double bond. The C-N and N-N bonds are relatively short compared to their normal bond lengths, indicating some degree of delocalization in the mol-ecule. The mol-ecule is bent at the S atom, with an S-N-C-C torsion angle of 164.48 (11)°. The dihedral angle between the two aromatic rings is 84.594 (7)°. ...[more]

PMID: 29152350

Similar Datasets

Crystal structure and Hirshfeld surface analysis of (E)-4-chloro-N-{2-[2-(4-nitro-benzyl-idene)hydrazin-1-yl]-2-oxoeth-yl}benzene-sulfonamide N,N-di-methyl-formamide monosolvate.

Project description:The asymmetric unit of the title compound, C15H13ClN4O5S·C3H7NO, contains one mol-ecule each of the Schiff base and the solvent di-methyl-formamide. The hydrazone group adopts an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 86.58?(2)°. In the crystal, pairs of N-H?O hydrogen bonds between centrosymmetrically related mol-ecules generates rings with an R22(10) graph-set motif. The dimers are further linked via N-H?O and C-H?O hydrogen bonds, leading to the formation of R33(11) ring motifs. C-H?? inter-actions are also observed. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis, which indicates that the most significant contacts in packing are O?H/H?O (31.3%), followed by H?H (25.4%) and C?H/H?C (13.0%).

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Crystal structure of (E)-N-{2-[2-(3-chloro-benzyl-idene)hydrazin-yl]-2-oxoeth-yl}-4-methyl-benzene-sulfonamide monohydrate.

Project description:The mol-ecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S-N-C-C torsion angle is 132.0 (3)°. The central part of the mol-ecule, C-C-N-N=C, is almost linear, with the C-C-N-N and C-N-N=C torsion angles being -174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between the p-toluene-sulfonyl ring and the S-N-C-C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O-H⋯O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C-H⋯O contacts present within the sheets.

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Project description:In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the planes of the rings is 51.11 (10)°. In the crystal, mol-ecules are linked into inversion dimers through pairs of N-H⋯O(S) hydrogen bonds.

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