Caffeine complexes of platinum(II): crystal structure of cis-[Pt(C8H10N4O2)2Cl2]·0.4H2O |
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Authors: | David ML Goodgame Paul B Hayman Richard T Riley David J Williams |
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Institution: | Chemistry Department, Imperial College of Science and Technology, London SW7 2AY, U.K. |
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Abstract: | The preparations are reported of cisPt(caffeine)2Cl2]·0.4H2O, Pd(caffeine)2Cl2, the methanol adduct of the previously known compound KPt(caffeine)Cl3], and Pt(caffeine)(cytidine)Cl2. Crystals of Pt(caffeine)2Cl2]·0.4H2O are tetragonal P42/n with a = 13.156(2) 0?, c = 12.734(2) 0?, Z = 4. The structure was refined on 945 reflections to R = 0.025. The molecule is cis with a crystallographic two-fold axis bisecting the ClPtCl and NPtN angles. The Pt is square planar with PtN and PtCl bonds of 2.029(5) Å and 2.271(2) Å respectively. There is a 5.4° dihedral angle between the imidazole and pyrimidine rings, and the imidazole ring is rotated away from the coordination plane by 86.4°. Symmetry related caffeine units pack parallel to each other with an inter-ring separation of 3.45 Å. |
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Keywords: | Author to whom correspondence should be addressed |
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