脲嘧啶3′,5′—环核苷酸(c-UMP)的晶体结构研究

脲嘧啶3′,5′-环核苷酸(c-UMP)结晶为无色透明晶体,分子式为C₉,H₁₁O₈N₂P,属单斜晶系,空间群C₂¹P2。晶胞参数α=10.767(6)?,b=7.152(4)?,c=1O.414(5)?,β=112.77(31)°,晶胞内分子数z=2。用PW-1100四圆衍射仪收集衍射强度数据,独立衍射点为1658个。应用Patterson法、直接法和Fourier综合法测定c-UMP分子结构。晶胞中呈现部分无序分布的溶剂分子。以对角矩阵最小二乘法修正结构参数,R=0.084。 关键词：

THE STUDY OF THE STRUCTURE OF URIDINE 3′, 5′-CYCLIC PHOSPHATE (c-UMP) CRYSTAL

Uridine 3′, 5′-cyclic phosphate (c-UMP) crystal is colourless and transparent. The molecular formula is C₉,H₁₁O₈N₂P. The crystal belongs to monoclinic system and its space group is C₂¹-P2. The parameters of unit cell are as follows: a = 10.767(6)?, b = 7.152 (4)?, c = 10.414 (5)? and β = 112.77(31)°. There are two molecules in an unit cell (Z = 2). The diffraction data were collected using PW-1100 four circle dif-fractometer. The number of independent diffraction data amounts to 1658. The structure was determined by applying Patterson analysis, direct method and Fourier synthesis. There are some solvate molecules whose distribution exhibit partial disorder in an unit cell. The structure parameters have been refined by means of block-matrix least-square method, R - 0.084.
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