| Synthesis and Crystal Structure of 4-（4,6-Dimethoxylpyrimidin-2-yl）- 3-thiourea Carboxylic Acid Ethyl Ester |
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| 引用本文： | ZHANG Yanga HUANG Jiea SONG Ji-Rongb② REN Ying-Huia XU Kang-Zhena a.Synthesis and Crystal Structure of 4-（4,6-Dimethoxylpyrimidin-2-yl）- 3-thiourea Carboxylic Acid Ethyl Ester[J].结构化学,2008,27(2):195-199. |
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| 作者姓名： | ZHANG Yanga HUANG Jiea SONG Ji-Rongb② REN Ying-Huia XU Kang-Zhena a |
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| 作者单位： | ZHANG Yanga HUANG Jiea SONG Ji-Rongb② REN Ying-Huia XU Kang-Zhena a (Department of Chemical Engineering，Shaanxi Key Laboratory of Physico-inorganic Chemistry，Northwest University，Xi’an 710069，China) b (Conservation Technology Department，the Palace Museum，4 Jingshan Qianjie，Beijing 100009，China) |
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| 基金项目： | supported by the National Natural Science Foundation of China (20571060)，Natural Science Foundation of Shaanxi Province (2007B08)，Education Committee of Shaanxi Province (05JK294) |
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| 摘 要： | 4-（4,6-Dimethoxyl-pyrimidin-2-yl）-3-thiourea carboxylic acid ethyl ester was synthesized by the reaction of 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and methyl chloroformate in ethyl acetate. Single crystals suitable for X-ray measurement were obtained by recrystallization with the solvent of dimethyl formamide at room temperature. The crystal structure was determined by X-ray diffraction analysis. Crystallographic data： C10H14N4O4S, M, = 286.31, monoclinic, space group C2/c with a = 2.5309（3）, b = 0.67682（6）, c = 1.74237（19） nm, β = 114.744（3）°, V= 2.7106（5） nm3, Dc = 1.403 g/cm3, p = 0.225 mm-1, F（000） = 1200, Z= 8, R= 0.0514 and wR= 0.1529.
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| 关 键 词： | 合成 晶体结构 硫脲 羧酸乙酯 生物活性 |
| 收稿时间： | 2007-03-26 |
| 修稿时间： | 2007-05-21 |
Synthesis and Crystal Structure of 4-(4,6-Dimethoxylpyrimidin-2-yl)- 3-thiourea Carboxylic Acid Ethyl Ester |
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| Abstract: | 4-(4,6-Dimethoxyl-pyrimidin-2-yl)-3-thiourea carboxylic acid ethyl ester was synthesized by the reaction of 2-amino-4,6-dimethoxyl pyrimidine, potassium thiocyanate and methyl chloroformate in ethyl acetate. Single crystals suitable for X-ray measurement were obtained by recrystallization with the solvent of dimethyl formamide at room temperature. The crystal structure was determined by X-ray diffraction analysis. Crystallographic data: C10H14N4O4S, Mr = 286.31, monoclinic, space group C2/c with a = 2.5309(3), b = 0.67682(6), c = 1.74237(19) nm, β = 114.744(3)°, V = 2.7106(5) nm3, Dc = 1.403 g/cm3, μ = 0.225 mm-1, F(000) = 1200, Z = 8, R = 0.0514 and wR = 0.1529. |
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| Keywords: | 4-(4 6-dimethoxyl-pyrimidin-2-yl)-3-thiourea carboxylic acid ethyl ester synthesis crystal structure π-π aromatic stacking interactions |
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