A HIGHLY PROPELLER-TWISTED ADENINE-ADENINE BASE PAIR IN 8-TERT-BUTYLADENINE

被引:6
作者
ALEXANDRESCU, A [1 ]
DRENDEL, WB [1 ]
SUNDARALINGAM, M [1 ]
机构
[1] UNIV WISCONSIN,COLL AGR & LIFE SCI,DEPT BIOCHEM,MADISON,WI 53706
关键词
D O I
10.1107/S0108270190008824
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C9H13N5, M(r) = 191.24, monoclinic, P2(1)/c, a = 7.562 (1), b = 6.825 (1), c = 20.905 (1) angstrom, beta = 104.84 (1)degrees, V = 1042.9 angstrom 3, Z = 4, room temperature, D(x) = 1.218 g cm-3, lambda(Cu K-alpha) = 1.5418 angstrom, mu = 6.6 cm-1, F(000) = 408. The structure was solved by the multisolution technique and refined by the block-diagonal least-squares method to a final R index of 0.045 using 1970 intensities. The adenine bases form three pairs of hydrogen bonds to symmetry-related molecules in the crystal lattice. Two distinct modes of hydrogen bonding are observed. One mode involves a planar interaction between adjacent adenine bases while the second mode is characterized by an unusually high propeller twist angle of 79.3-degrees between the planes through the two participating adenine bases.
引用
收藏
页码:1041 / 1044
页数:4
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