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Preparation, Crystal Structure and Spectroscopic Properties of Dimeric [Zn(2-bromobenzoato)2(phenazone)]2 and Monomeric [Zn(2-bromobenzoato)2(thiourea)2]·2H2O

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Abstract

The binuclear zinc complex bis(2-bromobenzoato-O)-bis(μ 2 -2-bromobenzoato-O,O′)-bis(phenazone-O)-dizinc(II) (I) and the mononuclear dihydrate bis(2-bromobenzoato-O)-bis(thiourea-S)-zinc(II) (II) have been synthesized and characterized by means of elemental analysis and spectroscopic methods (IR, 1H and 13C NMR, EDS). The solid state structures of both compounds were determined by single-crystal X-ray diffractometry. Compound [Zn(2-BrC6H4COO)2(phen)]2 (phen—phenazone) (I) crystallized as a dimeric compound with a triclinic lattice (space group P − 1), where both zinc atoms, interconnected by two carboxylate groups, possess a distorted tetrahedral coordination environment. The crystallographic data of complex I: a = 9.9410(3) Å, b = 10.7309(3) Å, c = 12.9237(4) Å, α = 93.6004(17)°, β = 92.5898(11)°, γ = 116.2192(16)°, V = 1230.26(6) Å3, Z = 1. Complex [Zn(2-BrC6H4COO)2(tu)2]·2H2O (tu—thiourea) (II) crystallized with an orthorhombic lattice (space group Aba2) as a monomeric compound, where the coordination environment of the central zinc atom is a distorted tetrahedron. The crystallographic data of complex II are: a = 9.8595(3) Å, b = 19.7052(5) Å, c = 12.5908(3) Å, V = 2446.18(11) Å3, Z = 4. The modes of the carboxylate binding were assigned from the IR spectra using the magnitude of the separation between the carboxylate stretches (Δ), which correlated well with the crystal structures. The computed theoretical IR spectrum agreed well with the experimental data.

Graphical Abstract

Two new compounds bis(2-bromobenzoato-O)-bis(μ 2 -2-bromobenzoato-O,O′)-bis(phenazone-O)-dizinc(II) and bis(2-bromobenzoato-O)-bis(thiourea-S)-zinc(II) have been prepared and characterized by means of spectral analyses and X-ray single crystal structure determination; furthermore the correlation of IR spectra and structures of the prepared compounds has been done.

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Acknowledgments

This work was supported by the Slovak Ministry of Education (VEGA project 1/0122/08), the Ministry of Education of the Czech Republic (Long term research plan MSM0021620857) and the State NMR Program (Grant No. 2003SP200280203). The financial support is gratefully acknowledged.

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Authors and Affiliations

  1. Institute of Chemistry, P.J. Šafárik University, Moyzesova 11, 041 54, Kosice, Slovak Republic

    Annamária Krajníková, Katarína Győryová & Ján Imrich

  2. Pedagogical Faculty, J. Selye University, Bratislavská cesta 3322, 945 01, Komárno, Slovak Republic

    Róbert Gyepes

  3. J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 182 23, Prague 8, Czech Republic

    Róbert Gyepes

  4. Institute of Inorganic Chemistry, AS CR, Husinec-Řež 1001, 250 68, Řež, Czech Republic

    Jan Šubrt

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  1. Annamária Krajníková
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  2. Róbert Gyepes
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  3. Katarína Győryová
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  5. Ján Imrich
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Correspondence to Annamária Krajníková.

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Krajníková, A., Gyepes, R., Győryová, K. et al. Preparation, Crystal Structure and Spectroscopic Properties of Dimeric [Zn(2-bromobenzoato)2(phenazone)]2 and Monomeric [Zn(2-bromobenzoato)2(thiourea)2]·2H2O. J Chem Crystallogr 41, 1036–1043 (2011). https://doi.org/10.1007/s10870-011-0041-7

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