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Ethyl 7-oxo-3,5-diphenyl-1,4-diazepane-2-carboxylate
The title compound, C(20)H(22)N(2)O(3), crystallizes with two independent molecules in the asymmetric unit. In both molecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6 (4)/40.3 (5) and 75.9 (5)/58.6 (7)°...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344629/ https://www.ncbi.nlm.nih.gov/pubmed/22590391 http://dx.doi.org/10.1107/S1600536812017084 |
Sumario: | The title compound, C(20)H(22)N(2)O(3), crystallizes with two independent molecules in the asymmetric unit. In both molecules, the diazepane rings adopt chair conformations. The mean planes of the diazepane rings in the two molecules form dihedral angles of 71.6 (4)/40.3 (5) and 75.9 (5)/58.6 (7)° with the neighbouring benzene rings. The carbonyl-group O atoms deviate significantly from the diazepane rings, by 0.685 (14) and 0.498 (13) Å. The ethoxycarbonyl groups show conformational difference between two molecules, as reflected in the orientation of the carbonyl O atoms and the C—C—O—C torsion angle of −179.0 (2)° in one molecule and 73.2 (2)° in the other. In one molecule there is a short N—H⋯O contact that generates an S(5) ring motif. In the crystal, N—H⋯O interactions generate R (2) (2)(8) graph-set motifs and C—H⋯O interactions generate R (2) (2)(10) and R (2) (2)(14) graph-set motifs. C—H⋯π interactions also occur. |
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