کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5161116 | 1501676 | 2017 | 30 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Synthesis, structural characterization and quantum chemical calculations on 1-(isomeric methylbenzoyl)-3-(4-trifluoromethylphenyl)thioureas
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آلی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The three novel isomeric acyl thiourea compounds were firstly prepared and characterized by some spectroscopic techniques. The molecular structure of compounds 1 and 3 was determined by X-ray diffraction analysis. A detailed analysis of the intermolecular contacts in the compounds 1 and 3 have been performed based on the Hirshfeld surfaces, their 2D fingerprint plots and the enrichment ratios. Conformational aspects are also discussed in terms of the vibrational spectra.320
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1141, 5 August 2017, Pages 309-321
Journal: Journal of Molecular Structure - Volume 1141, 5 August 2017, Pages 309-321
نویسندگان
Lei Qiao, Yu Zhang, Wei Hu, Jiajia Guo, Wenli Cao, Zimei Ding, Zhiwei Guo, An Fan, Jirong Song, Jie Huang,