کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1409754 1501799 2012 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Persubstituted p-benzoquinone monoxime alkyl ethers and their molecular structure
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Persubstituted p-benzoquinone monoxime alkyl ethers and their molecular structure
چکیده انگلیسی
Methylation and ethylation of persubstituted nitrosophenols were carried out. The products obtained were investigated using X-ray diffraction, 1Н NMR spectroscopy and mass spectrometry. The crystal structure of the methyl ether of 2,6-di(alkoxycarbonyl)-3,5-dimethyl-1,4-benzoquinone-1-oxime (С15H19NO6) (I) was determined by the X-ray powder diffraction technique. The unit cell parameters were: a = 7.3322(6) Å, b = 10.5039(12) Å, c = 21.1520(20) Å, β = 93.742(6)°, V = 1625.58(2) Å3Z = 4, Sp.Gr. P21/c. The structure modeling was made in direct space by the Monte-Carlo approach using rigid and soft restrictions. The structure refinement was completed by the Rietveld method. It was established that the alkylation occurred on the oxygen atom of the nitroso group. The molecules (I) in the crystal structure were packed in columns along the axis a with pairwise convergence in a column up to the distance of 3.63 Å due to a 180° turn of every second molecule around the column axis. In the molecular structure the methyloxime group was oriented in the benzene plane and had π-conjugation with the ring. The ethoxycarbonyl groups were turned nearly perpendicular to the ring. Other compounds obtained had the structure of the alkyl ethers of 1.4-benzoquinone-1-oxime, which was proved by 1Н NMR spectroscopy and mass-spectrometry.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1015, 16 May 2012, Pages 173-180
نویسندگان
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