Crystal structure of (Z)-1-(sec-butyl)-3-(4-dimethylaminophenyl)-2-(1H-1,2,4-triazol-1-yl)propen-2-one

The crystal structure of the tide compound is determined by X-ray diffracti on studies. The structure is solved by the direct method. The experimental data are obtained on a DAR-UMB diffractometer by the theta-theta/2 theta sc an technique using MoKalpha radiation. The crystal is monoclinic, a = 17.91 3(3) Angstrom, b = 17.239(3) Angstrom, c = 5.501(5) Angstrom, gamma = 74.4( 3)degrees, space group P2(1)/a, Z = 4 for C17H22N4O, and rho(calcd) = 1.211 g/cm(3). The molecule consists of the phenyl and triazole rings and the di methylamino, carbonyl, and isopropyl groups attached to the rings. The dihe dral angle between the rings is 67.4 degrees. The carbonyl oxygen atom and the triazole ring are in the trans position relative to each other. The N-C -C-O torsion angle is 172.8 degrees. The molecule is in the Z isomeric form . (C) 2000 MAIK "Nauka/Interperiodica".