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

被引：0
|
作者：
S. T. Malinovskii
M. Z. Krimer
E. P. Styngach
Yu. M. Chumakov
机构：
[1] Academy of Sciences of Moldova,Institute of Chemistry
[2] Academy of Sciences of Moldova,Institute of Applied Physics
来源：
Crystallography Reports | 2000年 / 45卷
关键词：
Phenyl; Carbonyl; Oxygen Atom; Triazole; Isopropyl;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The crystal structure of the title compound is determined by X-ray diffraction studies. The structure is solved by the direct method. The experimental data are obtained on a DAR-UMB diffractometer by the θ-θ/2θ scan technique using MoKα radiation. The crystal is monoclinic, a = 17.913(3) Å, b = 17.239(3) Å, c = 5.501(5) Å, γ = 74.4(3)°, space group P21/a, Z = 4 for C17H22N4O, and ρcalcd = 1.211 g/cm3. The molecule consists of the phenyl and triazole rings and the dimethylamino, carbonyl, and isopropyl groups attached to the rings. The dihedral angle between the rings is 67.4°. 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°. The molecule is in the Z isomeric form.
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页码：248 / 250
页数：2
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