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4,10-Diformyl-2,6,8,12-tetra-nitro-2,4,6,8,10,12-hexa-azatetra-cyclo-[5.5.0.0.0]dodeca-ne.

ABSTRACT: 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 hexa-azaisowurtzitane 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).

SUBMITTER: Chen H

PROVIDER: S-EPMC2979879 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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4,10-Diformyl-2,6,8,12-tetra-nitro-2,4,6,8,10,12-hexa-azatetra-cyclo-[5.5.0.0.0]dodeca-ne.

Chen Huaxiong H Shi Rui R Chen Shusen S Jin Shaohua S Li Lijie L Shi Yanshan Y

Acta crystallographica. Section E, Structure reports online 20100113 Pt 2

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 hexa-azaisowurtzitane 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 s ...[more]

PMID: 21579767

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