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Crystal Structure and Physical Characterisation of [Zn2(Benzoato)4(Caffeine)2]·2 Caffeine

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Abstract

The crystal structure of [Zn2(benzoato)4(caffeine)2]·(caffeine)2 was determined by direct method and Fourier technique. The structure was refined by full-matrix least-squares method to a weighted R factor of 0.0582. The structure consists of centrosymmetric dimeric units where the two zinc(II) atoms are coordinated by four bridging benzoates in a syn–syn arrangement and two caffeine ligands at the apices of a bicapped square prism. Remaining two caffeines are bound only by hydrogen bonds. The Zn–Zn distance is 2.961(1) Å. The Zn(II) atoms are displaced by 0.365 Å from the basal plane containing four oxygen atoms towards the apical caffeine molecules. The dimeric structure of the complex is consistent with spectrum and thermal data. The structural data are compared with those found in similar [Zn2(RCOO)4(NL)2] complexes.

Graphical Abstract

The crystal structure of [Zn2(benzoato)4(caffeine)2]·(caffeine)2 consist of centrosymmetric dimeric units where the two zinc(II) atoms are coordinated by four bridging benzoates in a syn-syn arrangement and two caffeine ligands at the apices of a bicapped square prism. The dimeric structure of the complex is consistent with spectrum and thermal data.

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Acknowledgments

We thank Scientific Grant Agency of the Ministry of Education of Slovak Republic and the Slovak Academy of Sciences for financial support (1/0353/08 and 1/0122/08).

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Authors and Affiliations

  1. Department of Inorganic Chemistry, P. J. Šafarik University, Moyzesova 11, 041 54, Košice, Slovak Republic

    Lenka Findoráková & Katarína Győryová

  2. Department of Inorganic Chemistry, Slovak Technical University, Radlinského 9, 812 37, Bratislava, Slovak Republic

    Marian Koman, Jan Moncol & Milan Melník

Authors
  1. Lenka Findoráková
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  2. Katarína Győryová
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  3. Marian Koman
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  4. Jan Moncol
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  5. Milan Melník
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Correspondence to Jan Moncol.

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Findoráková, L., Győryová, K., Koman, M. et al. Crystal Structure and Physical Characterisation of [Zn2(Benzoato)4(Caffeine)2]·2 Caffeine. J Chem Crystallogr 40, 145–150 (2010). https://doi.org/10.1007/s10870-009-9619-8

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  • DOI: https://doi.org/10.1007/s10870-009-9619-8

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