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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Published inActa crystallographica. Section E, Structure reports online Vol. 70; no. 3; p. o266
Main Authors Rivera, Augusto, Ríos-Motta, Jaime, Bolte, Michael
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.03.2014
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Summary: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 -42 m 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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536814002608