STRUCTURES OF 2 MODIFICATIONS OF 2,2'-4',4''-2'',2'''-QUATERPYRIDINE

被引:7
作者
HONEY, GE [1 ]
STEEL, PJ [1 ]
机构
[1] UNIV CANTERBURY,DEPT CHEM,CHRISTCHURCH 1,NEW ZEALAND
关键词
D O I
10.1107/S0108270191005085
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C20H14N4, M(r) = 310.4. Alpha-Form: monoclinic, P2(1)/c, a = 9.434 (8), b = 6.110 (4), c = 13.322 (10) angstrom, beta = 105.02 (6)-degrees, V = 741.7 (9) angstrom3, Z = 2, D(x) = 1.39 Mg m-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 0.08 mm-1, F(000) = 324, T = 160 K, R = 0.052 for 976 independent observed reflections. Beta-Form: monoclinic, P2(1)/n, a = 7.224 (5), b = 11.530 (6), c = 8.978 (6) angstrom, beta = 91.21 (5)-degrees, V = 747.7 (8) angstrom3, Z = 2, D(x) = 1.38 Mg m-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 0.08 mm-1, F(000) = 324, T = 160 K, R = 0.047 for 617 independent observed reflections. In both forms the molecules exist in a centrosymmetric planar conformation with transoid 2,2'- (and 2",2"'-) linkages and pack with a common herringbone pattern but with different molecular stackings.
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页码:2247 / 2249
页数:3
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