Crystal structure and Hirshfeld surface analysis of N,N'-bis-(2-nitro-phen-yl)glutaramide.

ABSTRACT: The asymmetric unit of the title compound, C₁₇H₁₆N₄O₆, contains two independent mol-ecules (A and B). The two benzene rings are twisted by an angle of 79.14?(7)° in mol-ecule A, whereas, in mol-ecule B, they are inclined by 19.02?(14)°. The conformations of the mol-ecules are stabilized by intra-molecular N-H?O hydrogen bonds between the amide nitro-gen atom and the O atom of the ortho-nitro substituent on the phenyl ring, enclosing an S(6) ring motif. In the amide and aliphatic segments, all the N-H, C=O and C-H bonds are anti to each other. In the crystal, the A and B mol-ecules are linked by inter-molecular amide-to-amide N-H?O hydrogen bonds, resulting in chains running along the b-axis direction. The inter-molecular inter-actions were analysed using Hirshfeld surface analysis. The two-dimensional fingerprint plots of the inter-molecular contacts indicate that the major contributions are from H?H and O?H inter-actions.

SUBMITTER: Salian AR 

PROVIDER: S-EPMC6176432 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature