The Crystal and Molecular Structure of Racemic 11b-Methylbenzodiazepinooxazole

Abstract

The crystal structure of 11b-methylbenzodiazepinooxazole (MBDOZ) obtained from methanol solution was determined by X-ray diffraction techniques. MBDOZ crystallized in space group P_bca with cell dimensions a=25.293 (2) Å, b=8.483 (1) Å, and c=10.307 (1) Å. The centrosymmetric space group of P_bca with Z=8 demands that molecules in the crystal lattice form a racemic pair. Two diazepine moieties form a dimer with a hydrogen-bond net between the amide hydrogen and carbonyl oxygen (O₆) of each molecule. The conformations of the benzodiazepinooxazole ring system are discussed.