Title of article
Crystal structure and Hirshfeld surface analysis of 2-(4-nitrophenyl)-2-oxoethyl picolinate
Author/Authors
Sanjeeva Murthy, T. N. Department of Chemistry - Sri Siddhartha Academy of Higher Education, India , Chidan Kumar, C. S. Department of Chemistry - Sri Siddhartha Academy of Higher Education, India , Naveen,S. Department of Physics - School of Engineering and Technology - Jain University, India , Veeraiah, M. K. Department of Physics - School of Engineering and Technology - Jain University, India , Raghava Reddy, Kakarla School of Chemical & Biomolecular Engineering - The University of Sydney, Sydney, NSW, Australia , Chidan Kumar, C. S. Department of Chemistry - Vidya Vikas Institute of Engineering & Technology - Visvesvaraya Technological University, India
Pages
10
From page
1
To page
10
Abstract
2-(4-Nitrophenyl)-2-oxoethyl picolinate, C14H10N2O5, was synthesized under mild conditions. The chemical and molecular structures were confirmed by single-crystal X-ray diffraction analysis. The molecules are linked by inversion into centrosymmetric dimers via weak intermolecular C—H⋯O interactions, forming R22(10) ring motifs, and further strengthened by weak π–π interactions. Hirshfeld surface analyses, the dnorm surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were used to verify the contributions of the different intermolecular interactions within the supramolecular structure. The shape-index surface shows that two sides of the molecules are involved with the same contacts in neighbouring molecules and curvedness plots show flat surface patches that are characteristic of planar stacking.
Keywords
crystal structure , [R_{2}^{2}](10) ring motif , intermoleculsr interactions , Hirshfeld surface analysis
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2019
Record number
2625216
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