Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide

• Main Authors: Dhananjay Dey, I. Shruti, Deepak Chopra, T. P. Mohan
• Format: Article
• Language: English
• Published: International Union of Crystallography 2021-03-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; drug; hydrogen bonds; molecular conformation; chalcogen-centered interactions
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989021001900
• ISSN: 2056-9890

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.