Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782191492186505216 |
---|---|
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]. |
format | Text |
id | pubmed-2979757 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT chenhuaxiong 10formyl246812pentanitro24681012hexaazatetracyclo5500590311dodecaneacetonesolvate AT lilijie 10formyl246812pentanitro24681012hexaazatetracyclo5500590311dodecaneacetonesolvate AT liusufen 10formyl246812pentanitro24681012hexaazatetracyclo5500590311dodecaneacetonesolvate AT chenshusen 10formyl246812pentanitro24681012hexaazatetracyclo5500590311dodecaneacetonesolvate AT jinshaohua 10formyl246812pentanitro24681012hexaazatetracyclo5500590311dodecaneacetonesolvate |