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Author: search.filters.author.Meundaeng, NatthayaSubject: search.filters.subject.crystal structure

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    Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
    (2019-09-01)
    Meundaeng, Natthaya
    ;
    Prior, Timothy John
    ;
    Rujiwatra, Apinpus
    The crystal structures of five new transition-metal complexes synthesized using thiazole-2-carboxylic acid (2-Htza), imidazole-2-carboxylic acid (2-H2ima) or 1,3-oxazole-4-carboxylic acid (4-Hoxa), namely diaquabis(thiazole-2-carboxylato-κ<sup>2</sup> N,O)cobalt(II), [Co(C4H2NO2S)2(H2O)2], 1, diaquabis(thiazole-2-carboxylato-κ<sup>2</sup> N,O)nickel(II), [Ni(C4H2NO2S)2(H2O)2], 2, diaquabis(thiazole-2-carboxylato-κ<sup>2</sup> N,O)cadmium(II), [Cd(C4H2NO2S)2(H2O)2], 3, diaquabis(1H-imidazole-2-carboxylato-κ<sup>2</sup> N <sup>3</sup>,O)cobalt(II), [Co(C4H2N2O2)2(H2O)2], 4, and diaquabis(1,3-oxazole-4-carboxylato-κ<sup>2</sup> N,O <sup>4</sup>)cobalt(II), [Co(C4H2NO3)2(H2O)2], 5, are reported. The influence of the nature of the heteroatom and the position of the carboxyl group in relation to the heteroatom on the self-assembly process are discussed based upon Hirshfeld surface analysis and used to explain the observed differences in the single-crystal structures and the supramolecular frameworks and topologies of complexes 1-5.
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    Crystal structure of (1,3-thiazole-2-carboxylato-κ N)(1,3-thiazole-2-carboxylic acid-κ N)silver(I)
    (2019-01-01)
    Meundaeng, Natthaya
    ;
    Rujiwatra, Apinpus
    ;
    Prior, Timothy J.
    The linear two-coordinate silver (I) complex [Ag(C 4 H 2 NO 2 S)(C 4 H 3 NO 2 S)] or [Ag(2-Htza)(2-tza)] is reported (2-Htza = 1,3-thiazole-2-carboxylic acid). The Ag I ion is coordinated by two heterocyclic N atoms from two ligands in a linear configuration, forming a discrete coordination complex. There is an O - H⋯O hydrogen bond between 2-tza - and 2tzaH of adjacent complexes. The hydrogen atom is shared between the two oxygen atoms. This interaction produces a hydrogen-bonded tape parallel to the [110] direction, which is augmented through intermolecular C - H⋯O hydrogen-bonding interactions between the bound thiazole groups. There is a further rather long Ag⋯O interaction [2.8401 (13) Å, compared with a mean of 2.54 (11) Å for 23 structures in the CSD] that assembles these tapes into columns, between which there are C - H⋯π interactions, leading to the formation of a three-dimensional supramolecular architecture.