Abstract
The title compound, C17H18N2O3, is constructed from a benzodiazepine ring system linked to a pendant di-hydro-pyran ring, where the benzene and pendant di-hydro-pyran rings are oriented at a dihedral angle of 15.14 (4)°. Intra-molecular N-HDiazp⋯ODhydp and C-HDiazp⋯ODhydp (Diazp = diazepine and Dhydp = di-hydro-pyran) hydrogen bonds link the seven-membered diazepine ring to the pendant di-hydro-pyran ring, enclosing S(6) ring motifs. In the crystal, N-HDiazp⋯ODhydp hydrogen bonds link the mol-ecules into infinite chains along [10]. These chains are further linked via C-HBnz⋯ODhydp, C-HDhydp⋯ODhydp and C-HMth⋯ODhydp (Bnz = benzene and Mth = meth-yl) hydrogen bonds, forming a three-dimensional network. The observed weak C-HDiazp ⋯ π inter-action may further stabilize the structure. Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (51.1%), H⋯C/C⋯H (25.3%) and H⋯O/O⋯H (20.3%) inter-actions. Hydrogen bonding and van der Waals inter-actions are the dominant inter-actions in the crystal packing.
Highlights
Mohamed Samba,a,b* Mohamed Said Minnih,a,b Tuncer Hokelek,c Manpreet Kaur,d Jerry P
The title compound, C17H18N2O3, is constructed from a benzodiazepine ring system linked to a pendant dihydropyran ring, where the benzene and pendant dihydropyran rings are oriented at a dihedral angle of 15.14 (4)
Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from HÁ Á ÁH (51.1%), HÁ Á ÁC/CÁ Á ÁH (25.3%) and HÁ Á ÁO/ OÁ Á ÁH (20.3%) interactions
Summary
Derivatives of 1,5-benzodiazepines have attracted considerable attention from researchers because of their bioactive and pharmaceutical properties. The search for new heterocyclic systems including the 1,5-benzodiazepine moiety for biological activities is of much current importance (Essassi & Salem, 1985; Dardouri et al, 2011; Chkirate et al, 2018; Keita et al, 2003; Jabli et al, 2009). In this context, we synthesized the title compound namely 3-(4,4-dimethyl2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-ylidene)-6-methyl3,4-dihydro-2H-pyran-2,4-dione by reacting dehydroacetic acid and o-phenylenediamine in ethanol, and we report here the synthesis, the molecular and crystal structures along with the Hirshfeld surface analysis. Symmetry codes: (i) Àx þ 2; Ày þ 1; Àz þ 1; (iv) x þ 1; y; z; (v) x þ 12; Ày þ 32; z À 12; (vi) x À 1; y; z
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