4,10-Diformyl-2,6,8,12-tetranitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,9.03,11]dodecane

被引：2
|
作者：
Chen, Huaxiong [1 ]
Shi, Rui [1 ]
Chen, Shusen [1 ]
Jin, Shaohua [1 ]
Li, Lijie [1 ]
Shi, Yanshan [1 ]
机构：
[1] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词：
Data-to-parameter ratio = 7.3; Mean σ(C-C) = 0.004 Å; R factor = 0.041; Single-crystal X-ray study; T = 93 K; WR factor = 0.094;
D O I：
10.1107/S1600536809055676
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound TNDFIW, C8H8N10O10, is a caged heterocycle substituted with four nitro and two formyl groups. It is related to the hexaazaisowurtzitane family of high-density high-energy polycyclic cage compounds. Four nitro groups are appended to the four N atoms of the two five-membered rings, while the other two formyl groups are attached to the two N atoms of the six-membered ring, which adopts a boat conformation. The compound has a cage structure which is constructed from one six-membered and two five-membered rings which are closed by a C-C bond, thus creating two seven-membered rings. There are a number of close intermolecular contacts [O center dot center dot center dot O = 2.827 (5), 2.853 (4) and 2.891 (5) angstrom; O center dot center dot center dot N = 2.746 (2) and 2.895 (2) angstrom] The calculated density of TNDFIW is 1.891 Mg m(-3).
引用
收藏
页码：O338 / U2250
页数：10
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