Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl 2-chloro-benzoate.

Autor: Sheshadri SN; Department of Chemistry, GSSS Institute of Engineering and Technology for Women, Mysuru 570 016, Karnataka, India., Chidan Kumar CS; Department of Engineering Chemistry, Vidya Vikas Institute of, Engineering & Technology, Visvesvaraya Technological University, Alanahally, Mysuru 570 028, Karnataka, India., Naveen S; Department of Physics, School of Engineering and Technology, Jain University, Bangalore 562 112, India., Veeraiah MK; Department of Chemistry, Sri Siddhartha Institute of Technology, Tumkur 572 105, Karnataka, India., Raghava Reddy K; School of Chemical & Biomolecular Engineering, The University of Sydney, Sydney, NSW, Australia., Warad I; Department of Chemistry, Science College, An-Najah National University, PO Box 7, Nablus, West Bank, Palestinian Territories.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2019 Oct 31; Vol. 75 (Pt 11), pp. 1792-1796. Date of Electronic Publication: 2019 Oct 31 (Print Publication: 2019).
DOI: 10.1107/S2056989019014336
Abstrakt: The title compound, C 15 H 10 ClNO 5 , 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, mol-ecules 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 supra-molecular structure. There are a number of offset π-π inter-actions present between the layers [inter-centroid distances vary from 3.8264 (15) to 3.9775 (14) Å]. Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure. The shape-index surface shows that two sides of the mol-ecule are involved in the same contacts with neighbouring mol-ecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.
(© Sheshadri et al. 2019.)
Databáze: MEDLINE
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