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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
Descripción
Sumario: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.