Crystal structure and Hirshfeld surface analysis of (4Z)-1-butyl-4-(2-oxo-propyl-idene)-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-2-one.

(4Z)-1-丁基-4-(2-氧代丙基亚甲基)-2,3,4,5-四氢-1H-1,5-苯并二氮杂卓-2-酮的晶体结构和Hirshfeld表面分析

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作者:Chkirate Karim, Sebbar Nada Kheira, Hökelek Tuncer, Krishnan Damodaran, Mague Joel T, Essassi El Mokhtar
The asymmetric unit of the title compound, C(16)H(20)N(2)O(2), consists of two independent mol-ecules 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-molecular C-H⋯O and complementary intra-molecular C-H⋯O hydrogen bonds form twisted strips extending parallel to (012). These strips are connected into layers parallel to (111) by additional inter-molecular C-H⋯O hydrogen bonds. The layers are further joined by C-H⋯π inter-actions. 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%) inter-actions.

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