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Crystal structure and Hirshfeld surface analysis of 2-(4-nitro-phen-yl)-2-oxoethyl picolinate
T N Sanjeeva Murthy1, C S Chidan Kumar2, S Naveen3
1Department of Chemistry, Sri Siddhartha Academy of Higher Education, Tumkur 572 107, Karnataka, India.
Abstract:
2-(4-Nitro-phen-yl)-2-oxoethyl picolinate, C14H10N2O5, was synthesized under mild conditions. The chemical and mol-ecular structures were confirmed by single-crystal X-ray diffraction analysis. The mol-ecules are linked by inversion into centrosymmetric dimers via weak inter-molecular C-H⋯O inter-actions, forming R 2 2(10) ring motifs, and further strengthened by weak π-π inter-actions. Hirshfeld surface analyses, the d norm surfaces, electrostatic potential and two-dimensional fingerprint (FP) plots were used to verify the contributions of the different inter-molecular inter-actions within the supra-molecular structure. The shape-index surface shows that two sides of the mol-ecules are involved with the same contacts in neighbouring mol-ecules and curvedness plots show flat surface patches that are characteristic of planar stacking.
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