4,10-Diformyl-2,6,8,12-tetra­nitro-2,4,6,8,10,12-hexa­azatetra­cyclo­[5.5.0.0(5,9).0(3,11)]dodeca­ne

The title compound TNDFIW, C(8)H(8)N(10)O(10), 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-membere...

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Detalles Bibliográficos
Autores principales: Chen, Huaxiong, Shi, Rui, Chen, Shusen, Jin, Shaohua, Li, Lijie, Shi, Yanshan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979879/
https://www.ncbi.nlm.nih.gov/pubmed/21579767
http://dx.doi.org/10.1107/S1600536809055676
Descripción
Sumario:The title compound TNDFIW, C(8)H(8)N(10)O(10), 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⋯O = 2.827 (5), 2.853 (4) and 2.891 (5) Å; O⋯N = 2.746 (2) and 2.895 (2) Å] The calculated density of TNDFIW is 1.891 Mg m(−3).

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