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. 2014 Feb 8;70(Pt 3):o266.
doi: 10.1107/S1600536814002608. eCollection 2014 Mar 1.

Redetermination of 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodeca-ne

Augusto Rivera  1 , Jaime Ríos-Motta  1 , Michael Bolte  2
Affiliations

Redetermination of 1,3,6,8-tetra-aza-tri-cyclo-[4.4.1.1(3,8)]dodeca-ne

Augusto Rivera et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The structure of the title compound, C8H16N4, 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 mol-ecule is generated by -42m symmetry, with one quarter of a mol-ecule [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 inter-actions beyond van der Waals contacts are apparent in the crystal structure.

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Figures

Fig. 1.
Fig. 1.
A view of the molecular structure of the title compound as determined by Murray-Rust (1974).
Fig. 2.
Fig. 2.
A view of the crystal structure of the title compound with the numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Symmetry operators for generating equivalent atoms: (A) -y, x, -z, (B) y, -x, -z, (C) -x, -y, z.
Fig. 3.
Fig. 3.
Packing diagram of the title compound with view onto the ac plane.
See this image and copyright information in PMC

References

    1. Allen, F. H. (2002). Acta Cryst. B58, 380–388. - PubMed
    1. Bischoff, C. A. (1898). Ber. Dtsch Chem. Ges. 31 3248-3260.
    1. Glister, J. F., Vaughan, K., Biradha, K. & Zaworotko, M. J. (2005). J. Mol. Struct. 749, 78–83.
    1. Murray-Rust, P. (1974). J. Chem. Soc. Perkin Trans. 2, pp. 1136–1141.
    1. Rivera, A., Rios-Motta, J., Hernandez-Barragan, A. & Joseph-Nathan, P. (2007). J. Mol. Struct. 831, 180–186.