高等学校化学学报

高等学校化学学报 ›› 2003, Vol. 24 ›› Issue (1): 58.

• 论文 • 上一篇    下一篇

2,3,4,6-四-O-乙酰基-β-D-吡喃葡萄糖基异硫氰酸酯的合成及晶体结构

建方方, 文丽荣, 李雪梅, 张书圣, 焦奎   

  1. 青岛科技大学化学与分子工程学院, 青岛 266042
  • 收稿日期:2001-10-08 出版日期:2003-01-24 发布日期:2003-01-24
  • 通讯作者: 张书圣(1966年出生),男,博士,教授,博士生导师,主要从事X射线衍射分析研究.E-mail:zhangsh ush@public.qd.sd.cn E-mail:zhangsh ush@public.qd.sd.cn
  • 基金资助:

    国家自然科学基金(批准号:20275020);山东省自然科学基金(批准号:Z2002B02)资助

Synthesis and Crystal Structure of 2,3,4,6-Tetra-O-acetyl-(β-D-glycosyl)-isothiocyanate

JIAN Fang-Fang, WEN Li-Rong, LI Xue-Mei, ZHANG Shu-Sheng, JIAO Kui   

  1. College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, China
  • Received:2001-10-08 Online:2003-01-24 Published:2003-01-24

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摘要： 采用葡萄糖作原料经乙酰化、溴化和硫氰酸化三步合成了2,3,4,6-四-O-乙酰基-β-D-吡喃葡萄糖基异硫氰酸酯,培养出了单晶,用X射线衍射分析了其晶体结构.结果表明,晶体为正交晶系,P212121空间群,a=0.72624(2)nm,b=1.17508(2)nm,c=2.17210(5)nm,α=β=γ=90°,V=1.85365(7)nm,Z=4,R=0.0531,wR=0.1359.

关键词: 吡喃葡萄糖基异硫氰酸酯, X射线衍射分析, 晶体结构, 构象

Abstract: The title compound, 2,3,4,6-tetra-O-acetyl-(β-D-glycosyl)-isothiocyanate( C15H27·NO9S), were synthesized and its crystal structure was characterized. It crystallizes in cubic system, space group P212121 with the cell parameters a=1.294 3(3) nm, b=0.828 40(2) nm, c=1.514 8(3) nm, V=1.623 9(6) nm3, Z=4. The hexopyranosyl ring adopts a normal 4C1 chair conformation with total puckering amplitude, QT of 0.606.

Key words: Glycosyl isothiocyanate, X-ray diffraction analysis, Crystal structure, Conformation

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