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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 acetone solvate

The title compound, C(7)H(7)N(11)O(11)·C(3)H(6)O, 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 (penta­nitro­mono­form­yl­hexa­aza­isowurtzitane, PNMFIW) and one acetone solvent mol­ecule, is a member of the caged hex...

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Detalles Bibliográficos
Autores principales: Chen, Huaxiong, Li, Lijie, Liu, Sufen, Chen, Shusen, Jin, Shaohua
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979757/
https://www.ncbi.nlm.nih.gov/pubmed/21579867
http://dx.doi.org/10.1107/S1600536810002813
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author Chen, Huaxiong
Li, Lijie
Liu, Sufen
Chen, Shusen
Jin, Shaohua
author_facet Chen, Huaxiong
Li, Lijie
Liu, Sufen
Chen, Shusen
Jin, Shaohua
author_sort Chen, Huaxiong
collection PubMed
description The title compound, C(7)H(7)N(11)O(11)·C(3)H(6)O, 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 (penta­nitro­mono­form­yl­hexa­aza­isowurtzitane, 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 der Waals radii) to the neighbouring nitro O atom [O⋯O = 2.957 (3) and 2.852 (3) Å; O⋯ H = 2.692 (2), 2.526 (3) and 2.432 (3) Å].
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spelling pubmed-29797572010-12-30 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 acetone solvate Chen, Huaxiong Li, Lijie Liu, Sufen Chen, Shusen Jin, Shaohua Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(7)H(7)N(11)O(11)·C(3)H(6)O, 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 (penta­nitro­mono­form­yl­hexa­aza­isowurtzitane, 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 der Waals radii) to the neighbouring nitro O atom [O⋯O = 2.957 (3) and 2.852 (3) Å; O⋯ H = 2.692 (2), 2.526 (3) and 2.432 (3) Å]. International Union of Crystallography 2010-01-27 /pmc/articles/PMC2979757/ /pubmed/21579867 http://dx.doi.org/10.1107/S1600536810002813 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
Li, Lijie
Liu, Sufen
Chen, Shusen
Jin, Shaohua
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 acetone solvate
title 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 acetone solvate
title_full 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 acetone solvate
title_fullStr 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 acetone solvate
title_full_unstemmed 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 acetone solvate
title_short 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 acetone solvate
title_sort 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 acetone solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979757/
https://www.ncbi.nlm.nih.gov/pubmed/21579867
http://dx.doi.org/10.1107/S1600536810002813
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