The title compound Ph3P=C（H）C（O）PhNO2 （L） has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-（3,nitrophenyl）ethanone followed by the addition of alkaline solution of sod...The title compound Ph3P=C（H）C（O）PhNO2 （L） has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-（3,nitrophenyl）ethanone followed by the addition of alkaline solution of sodium hydroxide. The yellow crystals of the title ylide were grown in methanol/chloroform solution by drop method without stirring at room temperature. The solid state structure of ylide has been established by X-ray crystallography analysis. In the molecule of the title compound, the geometry around the P atom is nearly tetrahedral and the O atom is in synperiplanar orientation to the P atom. The nitrophenyl ring is twisted with respect to the plane of the carbonyl group through an angle of 36.6（1）°. The crystal （C26H20NO3P, Mr = 425.40） belongs to the monoclinic system, space group P21/n with a = 10.889（3）, b = 14.467（3）, e = 13.872（4）A, β = 103.08（3）°, V = 2128.6（10） A3, Z= 4, T= 100（2） K, R = 0.059 and wR = 0.163 for 3984 observed reflections with I〉 2σ（I）.展开更多
The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C...The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C-NMR spectroscopy and elemental analysis. These experimental studies were supported by quantum mechanical calculations. The structure was solved in monoclinic, space group P21/c with a = 9.573（3）, b = 19.533（7）, c = 9.876（3）, β = 92.35（4）°, V = 1845.2（10）3, T = 85（2） K, Z = 4, R = 0.040 and wR = 0.089 for 6424 observed reflections with I2σ（I）.展开更多
文摘The title compound Ph3P=C（H）C（O）PhNO2 （L） has been prepared by the addition of triphenylphosphine in acetone as solvent to 2-bromo-1-（3,nitrophenyl）ethanone followed by the addition of alkaline solution of sodium hydroxide. The yellow crystals of the title ylide were grown in methanol/chloroform solution by drop method without stirring at room temperature. The solid state structure of ylide has been established by X-ray crystallography analysis. In the molecule of the title compound, the geometry around the P atom is nearly tetrahedral and the O atom is in synperiplanar orientation to the P atom. The nitrophenyl ring is twisted with respect to the plane of the carbonyl group through an angle of 36.6（1）°. The crystal （C26H20NO3P, Mr = 425.40） belongs to the monoclinic system, space group P21/n with a = 10.889（3）, b = 14.467（3）, e = 13.872（4）A, β = 103.08（3）°, V = 2128.6（10） A3, Z= 4, T= 100（2） K, R = 0.059 and wR = 0.163 for 3984 observed reflections with I〉 2σ（I）.
基金supported by Urmia Branch,Islamic Azad University
文摘The title compound, methyl 2-（diphenylamino）-4-phenyl-1,3-thiazole-5-carboxylate, was synthesized and studied by single-crystal X-ray diffraction method. The structure of the product was confirmed by IR, 1H- and 13C-NMR spectroscopy and elemental analysis. These experimental studies were supported by quantum mechanical calculations. The structure was solved in monoclinic, space group P21/c with a = 9.573（3）, b = 19.533（7）, c = 9.876（3）, β = 92.35（4）°, V = 1845.2（10）3, T = 85（2） K, Z = 4, R = 0.040 and wR = 0.089 for 6424 observed reflections with I2σ（I）.
