【摘 要】
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标题化合物C24H29NO4?1/2C2H5OH稨2O)由香兰素、5,5-二甲基-1,3-环己二酮、醋酸铵在微波辐射下干反应并经95%乙醇重结晶而得C24H29NO4穀2(C2H5OH稨2O)晶体。结构通过单晶X-射
【机 构】
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徐州师范大学化学系,徐州师范大学化学系,徐州师范大学化学系,徐州师范大学化学系,徐州师范大学化学系,深圳大学化学系,华中药业集团 江苏徐州221009,江苏徐州221009,江苏徐州221009,江苏
论文部分内容阅读
标题化合物C24H29NO4?1/2C2H5OH稨2O)由香兰素、5,5-二甲基-1,3-环己二酮、醋酸铵在微波辐射下干反应并经95%乙醇重结晶而得C24H29NO4穀2(C2H5OH稨2O)晶体。结构通过单晶X-射线衍射法确定,其晶体属单斜晶系,空间群P21/n, a = 9.810(2), b = 14.516(3), c = 17.008(3) ? b = 101.03(2), V = 2377.2(8) ?, Z = 4, Mr = 427.52, Dc = 1.195 g/cm3 , m(MoKa) = 0.082 mm-1, F(000) = 920。晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R = 0.0406, wR = 0.0892。X-射线衍射分析结果表明,吡啶环和与之稠合的2个六员环均为信封式构象。
The title compound C24H29NO4? 1 / 2C2H5OH 稨 2O) from vanillin, 5,5-dimethyl-1,3-cyclohexanedione, ammonium acetate under microwave irradiation dry reaction and recrystallized from 95% ethanol C24H29NO4 Valley 2 (C2H5OH 稨 2O) crystals. The structure was determined by single crystal X-ray diffraction and the crystal was monoclinic with space group P21 / n, a = 9.810 (2), b = 14.516 (3), c = 17.008 (3) , V = 2377.2 (8) ?, Z = 4, Mr = 427.52, Dc = 1.195 g / cm3, m (MoKa) = 0.082 mm-1 and F (000) = 920. The crystal structure is solved by the direct method, and the atomic parameters are corrected by full matrix least square method. The final deviation factor is R = 0.0406 and wR = 0.0892. The results of X-ray diffraction analysis showed that the pyridine ring and the two six-membered rings fused to them were all enveloping conformations.
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