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.

ABSTRACT: 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%).

SUBMITTER: Purandara H 

PROVIDER: S-EPMC5947811 | biostudies-other | 2018 Mar

REPOSITORIES: biostudies-other