3,6-DimethyI-N-1, N-4-bis(pyridin-2-yI)-1,2,4,5-tetrazine- 1,4-dicarboxamide

被引:0
|
作者
Rao, Guo-Wu [1 ]
Guo, Yan-Mei [1 ]
Shen, Qun [2 ]
机构
[1] Zhejiang Univ Technol, Coll Pharmaceut Sci, Hangzhou 310014, Zhejiang, Peoples R China
[2] Hangzhou Inst Calibrat & Testing Qual & Tech Sup, Hangzhou 310019, Zhejiang, Peoples R China
基金
中国国家自然科学基金;
关键词
data-to-parameter ratio = 12.6; mean σ(C-C) = 0.004 Å; R factor = 0.061; single-crystal X-ray study; T = 298 K; wR factor = 0.182;
D O I
10.1107/S1600536812005405
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C 16H 16N 8O 2, four atoms of the tetra-zine ring are coplanar, with the largest deviation from the plane being 0.0236 (12) Å; the other two atoms of the tetra-zine ring deviate on the same side from this plane by 0.320 (4) and 0.335 (4) Å. Therefore, the central tetra-zine ring exhibits a boat conformation. The dihedral angles between the mean plane of the four coplanar atoms of the tetrazine ring and the two pyridine rings are 26.22 (10) and 6.97 (5)°. The two pyridine rings form a dihedral angle of 31.27 (8)°. In the molecule, there are a number of short C - H⋯O interactions. In the crystal, molecules are linked via a C - H⋯O interaction to form zigzag chains propagating along the [010] direction.
引用
收藏
页码:O702 / U2056
页数:9
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