Crystal Structure And Hirshfeld Surface Analysis Of (4Z)-1-Butyl-4-(2-OxoPropylIdene)-2,3,4,5-TetraHydro-1H-1,5-Benzodiazepin-2-One
Date
2018Author
Chkirate, Karim
Sebbar, Nada Kheira
Hökelek, Tuncer
Krishnan, D.
Mague , J. T.
Essassi, El Mokhtar
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The asymmetric unit of the title compound consists of two independent molecules differing slightly in the conformations of the seven-membered rings and the butyl substituents., The asymmetric unit of the title compound, C16H20N2O2, 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.
URI
https://doi.org/10.1107/S2056989018014779https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218913/
http://hdl.handle.net/11655/18164