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, 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.
Highlights
Due to their numerous applications in various fields of chemistry, phenacyl benzoates are of great importance (Rather & Reid, 1919; Literak et al, 2006; Sheehan & Umezawa, 1973; Huang et al, 1996; Gandhi et al, 1995; Zhang et al, 2009)
In continuation of our work on such molecules (Kumar et al, 2014; Chidan Kumar et al, 2014), we report on the crystal and molecular structures of 2-(4-nitrophenyl)-2-oxoethyl chlorobenzoate (I)
The compound is composed of two aromatic rings (C1– C6 and C10–C15) linked by the –C7( O2)—C8—O1— C9( O3)– bridge
Summary
Due to their numerous applications in various fields of chemistry, phenacyl benzoates are of great importance (Rather & Reid, 1919; Literak et al, 2006; Sheehan & Umezawa, 1973; Huang et al, 1996; Gandhi et al, 1995; Zhang et al, 2009). In continuation of our work on such molecules (Kumar et al, 2014; Chidan Kumar et al, 2014), we report on the crystal and molecular structures of 2-(4-nitrophenyl)-2-oxoethyl chlorobenzoate (I). Its crystal and molecular structures are compared with those of 2-(4nitrophenyl)-2-oxoethyl benzoate (II) (Sheshadri et al, 2019), published by us recently, and further details of uses and applications of such molecules are described therein
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