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Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
In the title quinoline derivative, C(24)H(19)NO(3), the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C—...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659339/ https://www.ncbi.nlm.nih.gov/pubmed/31392008 http://dx.doi.org/10.1107/S2056989019007989 |
Sumario: | In the title quinoline derivative, C(24)H(19)NO(3), the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C—H⋯O contact forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H,H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π interactions, forming a supramolecular three-dimensional structure. |
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