| 1-苯基-3-甲基-4-(4-羟基-3-甲氧基)-苯甲叉-吡唑啉酮的微波合成和晶体结构 |
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| 引用本文： | 高原,屠树江,冯友建,史达清,王香善. 1-苯基-3-甲基-4-(4-羟基-3-甲氧基)-苯甲叉-吡唑啉酮的微波合成和晶体结构[J]. 结构化学, 2003, 22(4): 469-472 |
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| 作者姓名： | 高原 屠树江 冯友建 史达清 王香善 |
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| 作者单位： | 1. 深圳大学化学系,广东深圳,518060
2. 徐州师范大学化学系、江苏省药用植物生物技术重点实验室,江苏徐州,221009 |
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| 基金项目： | 江苏省自然科学基金(BK2001142)，江苏省教育厅自然科学基金(01KJB150008)资助项目 |
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| 摘 要： | 标题化合物C18H16N2O3是由香草醛和1-苯基-3-甲基-吡唑啉酮用微波辐射反应得到,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/c,Mr = 308.33, a = 21.101(4), b = 7.984, c = 20.076 ? = 115.81(1)? V = 3044.8(8) ? Z = 8, Dc = 1.345 g/cm3, = 0.093 cm-1, F(000) = 1296, 最终的偏离因子为R = 0.0403, wR = 0.0780, 分子之间存在氢键,形成了网状结构。
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| 关 键 词： | 吡唑啉酮 香草醛 晶体结构 微波辐射 |
Synthesis and Crystal Structure of 4-(3-Methoxyl-4-hydroxyl)-phenyl- methene-3-methyl-1-phenyl-5-pyrazolone under Microwave Irradiation |
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| GAO Yuana TU Shu-Jiangb FENG You-Jianb SHI Da-Qingb WANG Xiang-Shanb a. Synthesis and Crystal Structure of 4-(3-Methoxyl-4-hydroxyl)-phenyl- methene-3-methyl-1-phenyl-5-pyrazolone under Microwave Irradiation[J]. Chinese Journal of Structural Chemistry, 2003, 22(4): 469-472 |
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| Authors: | GAO Yuana TU Shu-Jiangb FENG You-Jianb SHI Da-Qingb WANG Xiang-Shanb a |
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| Abstract: | The title compound (C18H16N2O3) was synthesized by the reaction of 4-hydroxyl-3-methoxyl-phenyl aldehyde with 3-methyl-1-phenyl-5-pyrazolon under microwave irradiation and its crystal structure has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 21.101(4), b = 7.984(1), c = 20.076(3) ? = 115.81(1), V = 3044.8(8) 3, Z = 8, Mr = 308.33, Dc = 1.345 g/cm3, (MoK? = 0.093 mm-1 and F(000) = 704. The structure was solved by direct methods and refined by full-matrix least-squares techniques to the final R = 0.0403 and wR = 0.0780. X-ray analysis reveals that there exist intermolecular hydrogen bonging and network structure in the crystal. |
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| Keywords: | pyrazolone vanillin crystal structure microwave irradiation |
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