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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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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:
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
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author Chen, Huaxiong
Shi, Rui
Chen, Shusen
Jin, Shaohua
Li, Lijie
Shi, Yanshan
author_facet Chen, Huaxiong
Shi, Rui
Chen, Shusen
Jin, Shaohua
Li, Lijie
Shi, Yanshan
author_sort Chen, Huaxiong
collection PubMed
description 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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spelling pubmed-29798792010-12-30 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 Chen, Huaxiong Shi, Rui Chen, Shusen Jin, Shaohua Li, Lijie Shi, Yanshan Acta Crystallogr Sect E Struct Rep Online Organic Papers 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). International Union of Crystallography 2010-01-13 /pmc/articles/PMC2979879/ /pubmed/21579767 http://dx.doi.org/10.1107/S1600536809055676 Text en © Chen et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Chen, Huaxiong
Shi, Rui
Chen, Shusen
Jin, Shaohua
Li, Lijie
Shi, Yanshan
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979879/
https://www.ncbi.nlm.nih.gov/pubmed/21579767
http://dx.doi.org/10.1107/S1600536809055676
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