Title of article :
Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
Author/Authors :
Dey, Dhananjay Department of Chemistry - Indian Institute of Science Education and Research, India , Shruti, I. Department of Chemistry - Indian Institute of Science Education and Research, India , Chopra, Deepak Department of Chemistry - Indian Institute of Science Education and Research, India , Mohan, T. P. Rallis India Ltd - Bangalore 560091, Karnataka, India
Abstract :
The compound N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide, C21H16FN3O3S, crystallizes in the monoclinic centrosymmetric space group P21/c and its molecular conformation is stabilized via an intramolecular N—H⋯O hydrogen bond. The corresponding para-methoxy derivative, namely, N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide, C22H18FN3O4S, crystallizes in the monoclinic centrosymmetric space group C2/c. The supramolecular network mainly comprises N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds, which contribute towards the formation of the crystal structures for the two molecules. The different intermolecular interactions have been further analysed using Hirshfeld surface analysis and fingerprint plots.
Keywords :
crystal structure , drug , hydrogen bonds , molecular conformation , chalcogen-centered interactions
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
