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Crystal structure and Hirshfeld surface analysis of (4Z)-1-butyl-4-(2-oxo­propyl­idene)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

The asymmetric unit of the title compound, C(16)H(20)N(2)O(2), consists of two independent mol­ecules differing slightly in the conformations of the seven-membered rings and the butyl substituents, where the benzene rings are oriented at a dihedral angle of 34.56 (3)°. In the crystal, pairwise inter...

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Detalles Bibliográficos
Autores principales: Chkirate, Karim, Sebbar, Nada Kheira, Hökelek, Tuncer, Krishnan, Damodaran, Mague, Joel T., Essassi, El Mokhtar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218913/
https://www.ncbi.nlm.nih.gov/pubmed/30443403
http://dx.doi.org/10.1107/S2056989018014779
Descripción
Sumario:The asymmetric unit of the title compound, C(16)H(20)N(2)O(2), consists of two independent mol­ecules differing slightly in the conformations of the seven-membered rings and the butyl substituents, where the benzene rings are oriented at a dihedral angle of 34.56 (3)°. In the crystal, pairwise inter­molecular C—H⋯O and complementary intra­molecular C—H⋯O hydrogen bonds form twisted strips extending parallel to (012). These strips are connected into layers parallel to (111) by additional inter­molecular C—H⋯O hydrogen bonds. The layers are further joined by C—H⋯π inter­actions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (65.5%), H⋯C/C⋯H (16.0%) and H⋯O/O⋯H (15.8%) inter­actions.