کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1238284 | 968928 | 2006 | 7 صفحه PDF | دانلود رایگان |
In the present paper, the crystal structural and vibrational analysis of the N,N-dimethyl-N′-(2-chloro-benzoyl)thiourea molecule is reported. The molecular structure of the title compound was determined by single crystal X-ray diffraction method. The compound crystallizes monoclinic, space group P21/c with a = 5.6601(13) Å, b = 10.748(2) Å, c = 17.778(4) Å, β = 94.266(5)°, and V = 1078.5(4) Å3 with Z = 4 for dcalc = 1.495 g/cm3. Calculations of the vibrational frequencies have been carried out on the basis of normal coordinate analysis using simple general valence force field in Wilson's GF matrix method with the SPSIM computer program. With the help of this modern technique we were able to complete the assignment of the vibrational spectrum of the title compound.
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 64, Issue 4, July 2006, Pages 1065–1071