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| Synthesis and Crystal Structure of N3-（Dimethyl- pyrimidine）-N4-（tri-O-acetyl-xylosyl） Thiourea | |
| 引用本文： | 王小明,张锁秦,朱凌,王思思,李鑫源,方千荣,尹雅乐,刘昊琰,李耀先,贾高峰,赵卫国,庞延军,戚金亮,王修强,杨永华.Synthesis and Crystal Structure of N3-（Dimethyl- pyrimidine）-N4-（tri-O-acetyl-xylosyl） Thiourea[J].结构化学,2008,27(3):321-325. |
| 作者姓名： | 王小明 张锁秦 朱凌 王思思 李鑫源 方千荣 尹雅乐 刘昊琰 李耀先 贾高峰 赵卫国 庞延军 戚金亮 王修强 杨永华 |
| 作者单位： | State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，College of Chemistry Jilin University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，College of Chemistry Jilin University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，College of Chemistry Jilin University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，State Key Laboratory of Pharmaceutical Biotechnology School of Life Sciences，Nanjing University，Nanjing 210093，China College of Chemistry Jilin University Changchun 130021，China，Changchun 130021，China，Nanjing 210093，Nanjing 210093，Nanjing 210093，Changchun 130021，China，Nanjing 210093，Nanjing 210093，Changchun 130021，China，Nanjing 210093，Nanjing 210093，Nanjing 210093，Nanjing 210093，Nanjing 210093，Nanjing 210093 |
| 基金项目： | 国家博士后科学基金，Jiangsu Poatdoctoral Science Foundation |
| 摘 要： | The crystal structure of the title compound （C18H24N4O7S, Mr = 440.47） was prepared by the condensation of 2,3,4-tri-O-acetyl-β-D-xylopyranosyl isothiocyanate with 4,6-dimethylpyrimidin-2-amine and structurally determined by single-crystal X-ray diffraction. The crystal belongs to the monochnic system, space group P2 1 with a = 7.5500（17）, b = 10.498（2）, c = 14.208（3） A, β = 99.929（4）°, V = 1109.2（4） A^3, Z = 2, Dc = 1.319 g/cm^3,μ = 0.191, F（000） = 464, Flack = 0.00（15）, R = 0.0684 and wR = 0.1103. In the crystal structure, the xylose ring adopts a ^4C1 chair conformation. Due to the hydrogen bonding interaction between N（4）-H（4A） and N（1）, the pyrimidine ring is well positioned. |
| 关 键 词： | 分析方法 晶体 化学结构 硫脲 |
Synthesis and Crystal Structure of N3-(Dimethylpyrimidine)-N4-(tri-O-acetyl-xylosyl)Thiourea |
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| WANG Xiao-Ming,ZHANG Suo-Qin,ZHU Ling,WANG Si-Si,LI Xin-Yuan,FANG Qian-Rong,YIN Ya-Le,LIU Hao-Yan,LI Yao-Xian,JIA Gao-Feng,ZHAO Wei-Guo,PANG Yan-Jun,QI Jin-Liang,WANG Xiu-Qiang,YANG Yong-Hua.Synthesis and Crystal Structure of N3-(Dimethylpyrimidine)-N4-(tri-O-acetyl-xylosyl)Thiourea[J].Chinese Journal of Structural Chemistry,2008,27(3):321-325. | |
| Authors: | WANG Xiao-Ming ZHANG Suo-Qin ZHU Ling WANG Si-Si LI Xin-Yuan FANG Qian-Rong YIN Ya-Le LIU Hao-Yan LI Yao-Xian JIA Gao-Feng ZHAO Wei-Guo PANG Yan-Jun QI Jin-Liang WANG Xiu-Qiang YANG Yong-Hua |
| Institution: | 1. State Key Laboratory of Pharmaceutical Biotechnology,School of Life Sciences,Nanjing University,Nanjing 210093,China;College of Chemistry,Jilin University,Changchun 130021,China 2. College of Chemistry,Jilin University,Changchun 130021,China 3. State Key Laboratory of Pharmaceutical Biotechnology,School of Life Sciences,Nanjing University,Nanjing 210093,China |
| Abstract: | The crystal structure of the title compound(C18H24N4O7S,Mr=440.47)was prepared by the condensation of 2,3,4-tri-O-acetyl-β-D-xylopyranosyl isothiocyanate with 4,6-dime-thylpyrimidin-2-amine and structurally determined by single-crystal X-ray diffraction.The crystal belongs to the monoclinic system,space group P21 with a=7.5500(17),b=10.498(2),c=14.208(3)(A),β=99.929(4)°,V=1109.2(4)(A)3,Z=2,Dc=1.319 g/cm3,μ=0.191,F(000)=464,Flack=0.00(15),R=0.0684 and wR=0.1103.In the crystal structure,the xylose ring adopts a4C1 chair conformation.Due to the hydrogen bonding interaction between N(4)-H(4A)and N(1),the pyrimidine ring is well positioned. |
| Keywords: | xylopyranosyl isothiocyanate 4 6-dimethylpyrimidin-2-amine crystal structure synthesis |
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