Acta Cryst. (2010). E66, o625  [ doi:10.1107/S1600536810005477 ]

2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione

G. S. Nichol, S. Gunawan, J. Dietrich and C. Hulme

Abstract: The title compound, C₂₁H₂₁N₃O₂, was obtained following a five-step synthetic procedure yielding weakly diffracting rod and needle-shaped crystals which crystallized concomitantly. Structural analysis of a rod-shaped crystal showed that the central seven-membered heterocyclic ring adopts a conformation that is perhaps best described as a distorted boat, with the H-bearing (CH₂ and NH) atoms lying well out of the least-squares mean plane fitted through the other five atoms in the ring (r.m.s. deviation 0.075 Å). In the crystal, the compound packs as a twisted chain, which propagates along the b axis by means of an R¹₂(6) motif formed by one of the carbonyl O atoms acting as a bifurcated acceptor in an N-HO and C-HO interaction. No diffraction was observed from the needle-shaped crystals.

Online 13 February 2010

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