Synthesis, Crystal Structure And Hirshfeld Surface Analysis Of 3-(4,4-Dimethyl-2,3,4,5-TetraHydro-1H-1,5-Benzodiazepin-2-YlIdene)-6-Methyl-3,4-DiHydro-2H-Pyran-2,4-Dione
Minnih, Mohamed Said
Jasinski, Jerry P.
Sebbar, Nada Kheira
Essassi, El Mokhtar
xmlui.mirage2.itemSummaryView.MetaDataShow full item record
The title compound is built up from the benzodiazepine ring system linked to the pyridyl and pendant dihydropyran rings. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. A weak C—H ⋯ π interaction is also observed., 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)°. Intramolecular N—HDiazp⋯ODhydp and C—HDiazp⋯ODhydp (Diazp = diazepine and Dhydp = dihydropyran) hydrogen bonds link the seven-membered diazepine ring to the pendant dihydropyran ring, enclosing S(6) ring motifs. In the crystal, N—HDiazp⋯ODhydp hydrogen bonds link the molecules into infinite chains along . These chains are further linked via C—HBnz⋯ODhydp, C—HDhydp⋯ODhydp and C—HMth⋯ODhydp (Bnz = benzene and Mth = methyl) hydrogen bonds, forming a three-dimensional network. The observed weak C—HDiazp ⋯ π interaction 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%) interactions. Hydrogen bonding and van der Waals interactions are the dominant interactions in the crystal packing.