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P.K. Hon, Thomas C.W. Mak, J. Trotter

Preparation and X-ray analysis of 1-methyl-1,3,5,7-tetraazaadamantan-1-ium triiodide [(CH₂)₆N₄CH₃]I₃

The title compound has been prepared and subjected to crystal structure analysis. The crystals are monoclinic, space group P2₁/c, with a = 12.989(2), b = 12.735(2), c = 8.590(1) Å, β = 94.73(1)° and Z = 4. The structure was solved by direct methods and refined by full-matrix anisotropic least squares to R = 0.054 for 2183 observed MoKeα diffractometer data. In the [(CH₂)₆N₄CH₃]⁺ cation, the C-N bonds involving the formally positive quaternary N(l) atom are significantly longer than other C-N bonds. The I₃^- anions occupy two non-equivalent sites of symmetry 1; a final difference map, however, showed that their apparent centrosymmetry results from statistical disorder.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 158, 03/1982
Pages: 213 - 220

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