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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 ▶...

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Detalles Bibliográficos
Autores principales: Rivera, Augusto, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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