STRUCTURE OF BENZO-1,2,3,4-TETRAZINE 1,3-DIOXIDE

被引:10
作者
YAMAGUCHI, K
TAKAHASHI, H
KAIHOH, T
ITOH, T
OKADA, M
NAGATA, K
MATSUMURA, G
OHSAWA, A
机构
关键词
D O I
10.1107/S0108270191013781
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C6H4N4O2, M(r) = 164.12, orthorhombic, Pcab, a = 13.602 (1), b = 14.477 (2), c = 6.969 (1) angstrom, V = 1372.3 (3) angstrom3, Z = 8, D(x) = 1.589 Mg m-3, lambda(Cu K-alpha-1) = 1.54050 angstrom, mu = 1.025 mm-1, F(000) = 672, T = 295 K, final R = 0.049 for 692 reflections. The benzotetrazine ring is planar indicating extensive pi-electron delocalization. Shortened semipolar N-O bonds [N(2)-O(5) 1.255 (4) and N(4)-O6) 1.238 (4) angstrom] were observed.
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页码:1237 / 1239
页数:3
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