Untersuchungen an Polyhalogeniden. XVII. Darstellung und Kristallstruktur von Urotropiniumtriiodid,UrHI3 |
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Authors: | K-F Tebbe K Nagel |
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Abstract: | Studies on Polyhalides. 17. Preparation and Crystal Structure of Urotropinium Triiodide, UrHI3 Urotropinium triiodide C6H13N4I3 is formed by the reaction of equimolar amounts of urotropinium iodide and iodine in tBuOH as red-brown cube-like crystals melting at 402 K under decomposition. The compound crystallizes monoclinically in the space group P21/c with a = 952.0(3) pm, b = 1 160.2(6) pm, c = 1 149.9(4) pm, β = 92.22(3)° and Z = 4. The till now not described crystal structure (R = 0.027 for 1 860 observed reflexes) contains urotropinium ions UrH+ and slightly distorted triiodide ions I3?(d(I—I) = 292.3(1), 294.1(1) pm, φ(I—I—I) = 178.27(2)°) which are linked to ion pairs by a rather short contact (d(I …? I) = 389.0(1) pm, φ(I—I …? I) = 149.12(2)°). |
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Keywords: | Polyiodide triiodide urotropinium triiodide crystal structure |
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