Crystal structure of (4Z)-(2-oxopropylidene)-1-propargyl-1,2,4,5-tetrahydro- 2H-1,5-benzodiazepin-2-one

Abstract

The title compound, C15H14N2O2, crsytallizes in the monoclinic P21/n space group. It contains a diazepine ring with a boat conformation. The unit-cell parameters at room temperature are a = 11.165(5), b = 4.233(5), c = 27.243(5)Å, ? = 93.644(5), V = 1284.9(16)Å3, Dx = 1.314 g/cm3, Z = 4. The crystal structure is stabilized by inter C-H·O and intra N-H·O hydrogen bonding interactions. 2006 © The Japan Society for Analytical Chemistry.