Structural investigation of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide
| Autor: | Deepak Chopra, Dhananjay Dey, I. Shruti, T. P. Mohan |
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| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
crystal structure
chalcogen-centered interactions Thio Crystal structure 010402 general chemistry 010403 inorganic & nuclear chemistry 01 natural sciences Medicinal chemistry Molecular conformation Research Communications chemistry.chemical_compound General Materials Science Benzamide molecular conformation Crystallography Hydrogen bond Chemistry drug General Chemistry Condensed Matter Physics 0104 chemical sciences molecular conformation QD901-999 hydrogen bonds chalcogen-centered interactions Derivative (chemistry) Monoclinic crystal system |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 3, Pp 277-281 (2021) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | Crystal structure analysis of N-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and its 4-methoxy derivative highlights the significance of strong and weak hydrogen bonds. The difference in the contributions of atom–atom contacts obtained from Hirshfeld surface analysis and fingerprint plots helps in distinguishing the variations in the crystal packing of the two compounds. 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. |
| Databáze: | OpenAIRE |
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