Molecular Crystals and Liquid Crystals, Vol.482, 135-144, 2008
Crystal and molecular structure analysis of 7-chloro-5-cyclopropyl-9-methyl-10-(2-nitro-4-trifluromethyl-phenyl)-5,1 0-dihydro-4,5,6,10-tetraaza-dibenzo [a, d]cyclohepten-11-one
The compound 7-chloro-5-cyclopropyl-9-methyl-10-(2-nitro-4-trifluromethyl-phenyl)- 5,10-dihydro-4,5,6,10-tetraaza-dibenzo[a,d]cyclohepten-11-one, C22H15N5O3F3Cl, crystallizes in the monoclinic crystal class under the space group P2(1)/c with cell parameters a=16.595(7) angstrom, b=8.775(7) angstrom, c=14.973(1) angstrom, beta=97.465(4), V=2161.9(3) angstrom(3), Z=4. The structure was solved by direct methods using SHELXS-97, and refined using SHELXL-97. The final residual factor is R1=0.0604 for 4116 reflections and 342 parameters. The molecular structure exhibits intramolecular hydrogen bond of the type C-H center dot center dot center dot O.