Crystal structure, DFT and MEP study of ( )-2-[(2-hydroxy-5-methoxybenzylidene)amino]benzonitrile
| Autor: | Faizi, Md. Serajul Haque, Dege, Necmi, Çiçek, Ceren, Agar, Erbil, Fritsky, Igor O. |
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| Přispěvatelé: | OMÜ |
| Rok vydání: | 2019 |
| Předmět: |
crystal structure
Crystallography Nitrile Hydrogen bond Stacking General Chemistry Crystal structure Dihedral angle Condensed Matter Physics Ring (chemistry) Crystal chemistry.chemical_compound weak hydrogen bonding chemistry QD901-999 2-hydroxy-5-methoxybenzaldehyde 2-aminobenzonitrile General Materials Science Benzene |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 7, Pp 987-990 (2019) |
| DOI: | 10.1107/s2056989019008077 |
| Popis: | Dege, Necmi/0000-0003-0660-4721; Fritsky, Igor/0000-0002-1092-8035 WOS: 000477636700012 PubMed: 31392010 The asymmetric unit of the title compound, C15H12N2O2, contains two crystallographically independent molecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)degrees. An intramolecular O-H center dot center dot center dot N hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, molecules are linked by weak C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds, forming layers parallel to (011). In addition, pi-pi stacking interactions with centroid-centroid distances in the range 3.693 (2)-3.931 (2) angstrom complete the three-dimensional network. Ondokuz Mayis UniversityOndokuz Mayis University [PYO.FEN.1906.19.001] This study was supported by Ondokuz Mayis University under project No. PYO.FEN.1906.19.001. |
| Databáze: | OpenAIRE |
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