CONFORMATIONAL-ANALYSIS OF 3,4'-BI-(1,2,4-TRIAZOLE)

被引：14

作者：

AOUIAL, M

VIALLEFONT, P

ELAMMARI, L

机构：

[1] UNIV MONTPELLIER 2,F-34060 MONTPELLIER,FRANCE

[2] UNIV KARLSRUHE,TH,INST KRISTALLOG,W-7500 KARLSRUHE,GERMANY

来源：

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1991年 / 47卷

关键词：

D O I：

10.1107/S0108270190013968

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

C4H4N6, M(r) = 136.11, monoclinic, P2(1)/n, a = 7.633 (5), b = 5.729 (3), c = 12.872 (7) angstrom, beta = 94.15 (5)-degrees, V = 561.5 (2) angstrom-3, Z = 4, D(m) = 1.65, D(x) = 1.61 g cm-3, lambda(Mo K-alpha) = 0.7107 angstrom, mu = 11.1 cm-1, F(000) = 280, room temperature, R = 0.036, wR = 0.041 for 1072 reflections. The two triazole rings are in envelope conformations with a dihedral angle of 8.5-degrees between their mean planes. Molecules are held together in the crystalline state by van der Waals forces.

引用

页码：1866 / 1868

页数：3

共 14 条

[1] SYNTHESES OF 3(5),1'-BITRIAZOLES METHYLATED IN POSITION 1 OR 4 AND 4,4'-BITRIAZOLES [J].