Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl benzoate

被引:4
作者
Sheshadri, S. N. [1 ]
Kumar, C. S. Chidan [2 ]
Naveen, S. [3 ]
Veeraiah, M. K. [4 ]
Reddy, Kakarla Raghava [5 ]
Warad, Ismail [6 ]
机构
[1] GSSS Inst Engn & Technol Women, Dept Chem, Mysuru 570016, Karnataka, India
[2] Visvesvaraya Technol Univ, Vidya Vikas Inst, Dept Engn Chem, Mysuru 570028, Karnataka, India
[3] Jain Univ, Sch Engn & Technol, Dept Phys, Bangalore 562112, Karnataka, India
[4] Sri Siddhartha Inst Technol, Dept Chem, Tumkur 572105, Karnataka, India
[5] Univ Sydney, Sch Chem & Biomol Engn, Sydney, NSW, Australia
[6] An Najah Natl Univ, Sci Coll, Dept Chem, POB 7, Nablus, West Bank, Palestine
关键词
crystal structure; R-2(2)(16) ring motif; C-H center dot center dot center dot O hydrogen bonds; offset pi-pi interactions; Hirshfeld surface analysis; PHENACYL; ESTERS;
D O I
10.1107/S2056989019013975
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C15H11NO5, is relatively planar, with the planes of the two aromatic rings being inclined to each other by 3.09 (5)degrees. In the crystal, molecules are linked by a pair of C-H center dot center dot center dot O hydrogen bonds, forming inversion dimers, which enclose an R-2(2)(16) ring motif. The dimers are linked by a further pair of C-H center dot center dot center dot O hydrogen-bonds forming ribbons enclosing R-4(4)(26) ring motifs. The ribbons are linked by offset pi-pi interactions [centroid-centroid distances = 3.6754 (6)-3.7519 (6) angstrom] to form layers parallel to the ac plane. Through Hirshfeld surface analyses, the d(norm) surfaces, electrostatic potential and two-dimensional fingerprint (FP) 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 with the same contacts in neighbouring molecules, and the curvedness plot shows flat surface patches that are characteristic of planar stacking.
引用
收藏
页码:1719 / +
页数:10
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