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
Record number
2625241
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