Title of article :
Crystal structure and Hirshfeld surface analysis of 2-(4-nitro­phen­yl)-2-oxo­ethyl 2-chloro­benzoate
Author/Authors :
Sheshadri, S. N. Department of Chemistry - GSSS Institute of Engineering and Technology for Women, India , Chidan Kumar, C. S. Department of Chemistry - GSSS Institute of Engineering and Technology for Women, India , Naveen, S. Naveenc* Department of Physics - School of Engineering and Technology - Jain University, India , Veeraiah, M. K. Department of Chemistry, Sri Siddhartha Institute of Technology, India , Reddy, Kakarla Raghava Department of Chemistry - Sri Siddhartha Institute of Technology, India , Warad, Ismail Department of Chemistry - Sri Siddhartha Institute of Technology, India
Pages :
10
From page :
1
To page :
10
Abstract :
The title compound, C15H10ClNO5, is relatively planar with the two aromatic rings being inclined to each other by 3.56 (11)°. The central —C(=O)—C–O—C(=O)— bridge is slightly twisted, with a C—C—O—C torsion angle of 164.95 (16)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯Cl hydrogen bonds, forming layers parallel to the (101) plane. The layers are linked by a further C—H⋯O hydrogen bond, forming a three-dimensional supra­molecular structure. There are a number of offset π–π inter­actions present between the layers [inter­centroid distances vary from 3.8264 (15) to 3.9775 (14) Å]. Hirshfeld surface analyses, the dnorm surfaces, electrostatic potential and two-dimensional fingerprint plots were examined to verify the contributions of the different inter­molecular contacts within the supra­molecular structure. The shape-index surface shows that two sides of the mol­ecule are involved in the same contacts with neighbouring mol­ecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.
Keywords :
crystal structure , supra­molecular architecture , C—H⋯Cl hydrogen bonds , π–π inter­actions , Hirshfeld surface analysis
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2625241
Link To Document :
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