A structural investigation of the coordination behaviour of 4,6-dimethylpyrimidine-2-thiol with Zinc (II) at pH 6 – A zwitterionic complex exhibiting unusual ZnS3N2 chromophore in solid state

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Title: A structural investigation of the coordination behaviour of 4,6-dimethylpyrimidine-2-thiol with Zinc (II) at pH 6 – A zwitterionic complex exhibiting unusual ZnS3N2 chromophore in solid state
Authors: Das, A.K.1 asishkdas2009@rediffmail.com, Gowda, N.S.2, Botoshansky, M.3, Sridhar, M.A.2, Kaftory, M.3, Prasad, J. Sashidhara2
Source: Journal of Molecular Structure. Dec2009, Vol. 938 Issue 1-3, p259-262. 4p.
Subjects: Molecular structure, Pyrimidines, Organozinc compounds, Metal complexes, Hydrogen-ion concentration, Solid state chemistry, Zinc sulfate, Ligands (Chemistry)
Abstract: Abstract: Complexation between Zn2+ and 4,6-dimethylpyrimidine-2-thiol was attempted with ZnO, ZnSO4 and Zn(OAc)2. In all cases, the same compound, tris-4,6-dimethylpyrimidine-2-thiolato zinc (II) was generated without anion incorporation. It crystallized from methanol in the space group P21/a, Z =4. The molecular structure exemplifies an uncommon coordination of 3 ligands to Zn(II) through their thiolate centres; one of the ligands is protonated to effectively form a zwitterionic complex, which exhibits capped rectangular pyramidal coordination geometry of an anionic ZnN2S3 chromophore. In crystalline state, the ligand moieties differ in respect of orientations and interactions while in solution they behave as identical components of a symmetric molecule. The crystal structure is stabilized by π stacking and periodic H-bonding interactions along a . The presence of a protonated azomethine N in one of the ligands is confirmed from the high conductance and acidic pH of an aqueous methanolic solution of the complex. [Copyright &y& Elsevier]
Copyright of Journal of Molecular Structure is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: A structural investigation of the coordination behaviour of 4,6-dimethylpyrimidine-2-thiol with Zinc (II) at pH 6 – A zwitterionic complex exhibiting unusual ZnS<subscript>3</subscript>N<subscript>2</subscript> chromophore in solid state
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  Data: <searchLink fieldCode="AR" term="%22Das%2C+A%2EK%2E%22">Das, A.K.</searchLink><relatesTo>1</relatesTo><i> asishkdas2009@rediffmail.com</i><br /><searchLink fieldCode="AR" term="%22Gowda%2C+N%2ES%2E%22">Gowda, N.S.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Botoshansky%2C+M%2E%22">Botoshansky, M.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Sridhar%2C+M%2EA%2E%22">Sridhar, M.A.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Kaftory%2C+M%2E%22">Kaftory, M.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Prasad%2C+J%2E+Sashidhara%22">Prasad, J. Sashidhara</searchLink><relatesTo>2</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Structure%22">Journal of Molecular Structure</searchLink>. Dec2009, Vol. 938 Issue 1-3, p259-262. 4p.
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  Data: <searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Pyrimidines%22">Pyrimidines</searchLink><br /><searchLink fieldCode="DE" term="%22Organozinc+compounds%22">Organozinc compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+complexes%22">Metal complexes</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen-ion+concentration%22">Hydrogen-ion concentration</searchLink><br /><searchLink fieldCode="DE" term="%22Solid+state+chemistry%22">Solid state chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Zinc+sulfate%22">Zinc sulfate</searchLink><br /><searchLink fieldCode="DE" term="%22Ligands+%28Chemistry%29%22">Ligands (Chemistry)</searchLink>
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  Label: Abstract
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  Data: Abstract: Complexation between Zn2+ and 4,6-dimethylpyrimidine-2-thiol was attempted with ZnO, ZnSO4 and Zn(OAc)2. In all cases, the same compound, tris-4,6-dimethylpyrimidine-2-thiolato zinc (II) was generated without anion incorporation. It crystallized from methanol in the space group P21/a, Z =4. The molecular structure exemplifies an uncommon coordination of 3 ligands to Zn(II) through their thiolate centres; one of the ligands is protonated to effectively form a zwitterionic complex, which exhibits capped rectangular pyramidal coordination geometry of an anionic ZnN2S3 chromophore. In crystalline state, the ligand moieties differ in respect of orientations and interactions while in solution they behave as identical components of a symmetric molecule. The crystal structure is stabilized by π stacking and periodic H-bonding interactions along a . The presence of a protonated azomethine N in one of the ligands is confirmed from the high conductance and acidic pH of an aqueous methanolic solution of the complex. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Molecular Structure is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.molstruc.2009.09.037
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      – Code: eng
        Text: English
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        PageCount: 4
        StartPage: 259
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      – SubjectFull: Molecular structure
        Type: general
      – SubjectFull: Pyrimidines
        Type: general
      – SubjectFull: Organozinc compounds
        Type: general
      – SubjectFull: Metal complexes
        Type: general
      – SubjectFull: Hydrogen-ion concentration
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      – SubjectFull: Solid state chemistry
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      – SubjectFull: Zinc sulfate
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      – SubjectFull: Ligands (Chemistry)
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      – TitleFull: A structural investigation of the coordination behaviour of 4,6-dimethylpyrimidine-2-thiol with Zinc (II) at pH 6 – A zwitterionic complex exhibiting unusual ZnS3N2 chromophore in solid state
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              Text: Dec2009
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              Y: 2009
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