Chemical and structural data of (1,2,3-triazol-4-yl)pyridine-containing coordination compounds
J. Conradie,
M.M. Conradie,
K.M. Tawfiq,
M.J. Al-Jeboori,
C. D'Silva,
S.J. Coles,
C. Wilson,
J.H. Potgieter
Affiliations
J. Conradie
Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein 9300, South Africa; Corresponding author.
M.M. Conradie
Department of Chemistry, University of the Free State, P.O. Box 339, Bloemfontein 9300, South Africa
K.M. Tawfiq
Division of Chemistry and Environmental Science, Manchester Metropolitan University, Manchester M1 5GD, UK; Department of Chemistry, College of Education for Pure Science (Ibn Al-Haitham), University of Baghdad, Baghdad, Iraq
M.J. Al-Jeboori
Department of Chemistry, College of Education for Pure Science (Ibn Al-Haitham), University of Baghdad, Baghdad, Iraq
C. D'Silva
Manipal University Jaipur, Department of Chemistry, VPO Dehmi Kalan, Jaipur 303007, Rajasthan, India
S.J. Coles
EPSRC National Crystallography Service, School of Chemistry, University of Southampton, Southampton SO17 1BJ, England, UK
C. Wilson
School of Chemistry, University of Glasgow, Joseph Black Building, University Avenue, Glasgow G12 8QQ, Scotland, UK
J.H. Potgieter
Division of Chemistry and Environmental Science, Manchester Metropolitan University, Manchester M1 5GD, UK; School of Chemical and Metallurgical Engineering, University of the Witwatersrand, Private Bag X3, Wits 2050, South Africa
The data presented in this paper are related to the research article entitled “Novel dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds of seven transition metals (Mn, Fe, Co, Ni, Cu, Zn and Cd)” (Conradie et al., 2018) [1]. This paper presents characterization and structural data of the 2-(1-(4-methyl-phenyl)-1H-1,2,3-triazol-1-yl)pyridine ligand (L2) (Tawfiq et al., 2014) [2] as well as seven dichloro(bis{2-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) coordination compounds, [M(L2)2Cl2], all containing the same ligand but coordinated to different metal ions. The data illustrate the shift in IR, UV/VIS, and NMR (for diamagnetic complexes) peaks when L is coordinated to the metals, as well as the influence of the different metals on the peak positions. Solid state structural data is presented for M = Ni and Zn, while density functional theory calculated energies, structures and optimized coordinates are provided for the lowest energy cis and trans conformations for L2 as well as [M(L2)2Cl2] with M = Mn, Fe, Co, Ni, Cu, Zn and Cd.
