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Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane
The structure of the title compound, C(8)H(16)N(4), which consists of four fused seven-membered rings, has been redetermined at 173 K. This redetermination corrects the orientation of two H atoms, which were located at unrealistic positions in the original room-temperature study [Murray-Rust (1974 ▶...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998434/ https://www.ncbi.nlm.nih.gov/pubmed/24764981 http://dx.doi.org/10.1107/S1600536814002608 |
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author | Rivera, Augusto Ríos-Motta, Jaime Bolte, Michael |
author_facet | Rivera, Augusto Ríos-Motta, Jaime Bolte, Michael |
author_sort | Rivera, Augusto |
collection | PubMed |
description | The structure of the title compound, C(8)H(16)N(4), which consists of four fused seven-membered rings, has been redetermined at 173 K. This redetermination corrects the orientation of two H atoms, which were located at unrealistic positions in the original room-temperature study [Murray-Rust (1974 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 1136–1141]. The complete molecule is generated by -42m symmetry, with one quarter of a molecule [one N atom (site symmetry m), two C atoms (one with site symmetry m and the other with site symmetry 2) and two H atoms] in the asymmetric unit. No directional interactions beyond van der Waals contacts are apparent in the crystal structure. |
format | Online Article Text |
id | pubmed-3998434 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984342014-04-24 Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane Rivera, Augusto Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, C(8)H(16)N(4), which consists of four fused seven-membered rings, has been redetermined at 173 K. This redetermination corrects the orientation of two H atoms, which were located at unrealistic positions in the original room-temperature study [Murray-Rust (1974 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 1136–1141]. The complete molecule is generated by -42m symmetry, with one quarter of a molecule [one N atom (site symmetry m), two C atoms (one with site symmetry m and the other with site symmetry 2) and two H atoms] in the asymmetric unit. No directional interactions beyond van der Waals contacts are apparent in the crystal structure. International Union of Crystallography 2014-02-08 /pmc/articles/PMC3998434/ /pubmed/24764981 http://dx.doi.org/10.1107/S1600536814002608 Text en © Rivera et al. 2014 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 Rivera, Augusto Ríos-Motta, Jaime Bolte, Michael Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
title | Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
title_full | Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
title_fullStr | Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
title_full_unstemmed | Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
title_short | Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
title_sort | redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998434/ https://www.ncbi.nlm.nih.gov/pubmed/24764981 http://dx.doi.org/10.1107/S1600536814002608 |
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