10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.05,9.03,11]dodecane acetone solvate

被引：0
|
作者：
Chen, Huaxiong [1 ,2 ]
Li, Lijie [1 ]
Liu, Sufen [1 ]
Chen, Shusen [1 ]
Jin, Shaohua [1 ]
机构：
[1] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China
[2] Gansu Yinguang Chem Ind Grp Co Ltd, Gansu 730900, Peoples R China
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词：
Data-to-parameter ratio = 7.5; Mean σ(C-C) = 0.004 Å; R factor = 0.035; Single-crystal X-ray study; T = 93 K; WR factor = 0.066;
D O I：
10.1107/S1600536810002813
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The title compound, C7H7N11O11 center dot C3H6O, consisting of one molecule of 10-formyl-2,4,6,8,12-pentanitro- 2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0(5,9).0(3,11)]dodecane (pentanitromonoformyl-hexaazaisowurtzitane, PNMFIW) and one acetone solvent molecule, is a member of the caged hexaazaisowurtzitane family. PNMFIW has a cage structure which is constructed from one six-membered and two five-membered rings which are linked by a C-C bond, thus creating two seven-membered rings. In the PNMFIW molecule, one formyl group is bonded to the N heteroatom of the six-membered cycle, and five nitro groups are appended to other five N heteroatom of the caged structure. The acetone solvent molecule is arranged beside a five-membered plane of PNMFIW with an O atom and an H atom close (with respect to the sum of the van derWaals radii) to the neighbouring nitro O atom [O center dot center dot center dot O = 2.957 (3) and 2.852 (3) angstrom; O center dot center dot center dot H = 2.692 (2), 2.526 (3) and 2.432 (3) angstrom].
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页码：O452 / O452
页数：1
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