Crystal and Molecular Structure of the 1:1 Complex of Chloral Hydrate and 7-Bromo-2,3-dihydro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
The structure of a 1:1 complex of chloral hydrate and 7-bromo-2,3-dihydro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one has been determined by the heavy atom method. The complex crystallizes in the orthorhombic system, space group Pbca, with unit cell dimensions a = 13.45(1), b = 26.74(2), c = 11.23(1) Å and 8 molecules in the unit cell. The 1:1 complex of chloral hydrate and diazepam, 7-chloro-2,3-dihydro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one, is isomorphous with the above compound and has unit cell dimensions a = 13.43(1), b = 26.60(2), c = 11.20(1) Å. The final atomic parameters have been obtained from a block-diagonal least squares refinement using anisotropic thermal parameters. The final agreement residual for 575 observed reflections is R = 0.079.The structure consists of chains of chloral hydrate and Br-diazepam molecules linked by hydrogen bonds.