| (Z)-2-羟基-3-苯甲酰丙烯酸甲酯的合成及晶体结构 |
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| 引用本文： | 孙国斌,叶伟平,金祥林,裴伟伟. (Z)-2-羟基-3-苯甲酰丙烯酸甲酯的合成及晶体结构[J]. 结构化学, 2003, 22(6): 747-749 |
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| 作者姓名： | 孙国斌 叶伟平 金祥林 裴伟伟 |
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| 作者单位： | 北京大学化学与分子工程学院,北京,100871;北京大学化学与分子工程学院,北京,100871;北京大学化学与分子工程学院,北京,100871;北京大学化学与分子工程学院,北京,100871 |
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| 摘 要： | 标题化合物C11H10O4的晶体结构用X-射线单晶衍射法测定。晶体属单斜晶系, P21/c空间群, 晶胞参数a = 12.136(1), b = 5.559(1), c = 14.615(2) ? b = 96.758(3), V = 979.1(3) ?, Z = 4, Mr = 206.19, Dc = 1.399 g/cm3, F(000) = 432, m(MoKa) = 0.107 mm-1。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 = 0.0453, wR = 0.0990。标题化合物形成了1个大的共轭体系, 含有1个稳定的烯醇结构。结构测定表明还存在着1个分子内氢键的结构, 它使烯醇结构更加稳定。
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| 关 键 词： | (Z)-2-羟基-3-苯甲酰丙烯酸甲酯 合成 晶体结构 分子内氢键 烯醇 |
Synthesis and Crystal Structure of Methyl (Z)-2-Hydroxy-3-benzoylpropenoate |
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| SUN Guo-Bin YE Wei-Ping JIN Xiang-Lin PEI Wei-Wei. Synthesis and Crystal Structure of Methyl (Z)-2-Hydroxy-3-benzoylpropenoate[J]. Chinese Journal of Structural Chemistry, 2003, 22(6): 747-749 |
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| Authors: | SUN Guo-Bin YE Wei-Ping JIN Xiang-Lin PEI Wei-Wei |
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| Abstract: | The title compound C11H10O4 has been synthesized and its crystal structure was determined by single- crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 12.136(1), b = 5.559(1), c = 14.615(2) ? b = 96.758(3), V = 979.1(3) 3, Z = 4, Mr = 206.19, Dc = 1.399 g/cm3, F(000) = 432 and m(MoKa) = 0.107 mm-1. The structure was solved by direct methods and refined by full-matrix least-squares techniques to the final R = 0.0453 and wR = 0.0990. X-ray analysis reveals that the compound is a stable enol with a big conjugated system, and an intramolecular hydrogen bond makes the enol more stable. |
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| Keywords: | methyl (Z)-2-hydroxy-3-benzoylpropenoate synthesis crystal structure intramolecular hydrogen bond enol |
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