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The title compound, C 17 H 18 N 2 O 3 , 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-H Diazp ⋯O Dhydp and C-H Diazp ⋯O Dhydp (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-H Diazp ⋯O Dhydp hydrogen bonds link the mol-ecules into infinite chains along [10]. These chains are further linked via C-H Bnz ⋯O Dhydp , C-H Dhydp ⋯O Dhydp and C-H Mth ⋯O Dhydp (Bnz = benzene and Mth = meth-yl) hydrogen bonds, forming a three-dimensional network. The observed weak C-H Diazp ⋯ 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.

acta crystallographica. section e, crystallographic communications

Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2<i>H</i>-pyran-2,4-dione

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