Structural and spectral studies of copper(II) complexes (1-13) with functionalized 2,6-bis(thiazol-2-yl)pyridine ligands (L1-L13)

This dataset contains data from the analyses published in the article entitled: “Copper(II) Complexes with 4-Substituted 2,6-Bis(thiazol-2-yl)pyridines—An Overview of Structural–Optical Relationships”, published in: Int. J. Mol. Sci. 2025, 26(24), 11868; https://doi.org/10.3390/ijms262411868. Received: 10 November 2025 / Accepted: 2 December 2025/ First published: 9 December 2025. These data includes experimental data files of structural (SXRD), spectral (FT-IR, HR-MS and UV-Vis) for Cu(II) complexes (1–13) with 4-functionalized 2,6-bis(thiazol-2-yl)pyridines (L1–L13) prepared in the Institute of Chemistry, Faculty of Science and Technology, University of Silesia in Katowice, Katowice, Poland. Specifically, it contains: crystallographic information files (name.cif) and checkcif files (name_checkcif.pdf) of X-ray crystallographic structures of single crystals of Cu(II) compounds 1-11 obtained by single X-ray diffraction experiment performed on an Oxford Diffraction four-circle diffractometer Gemini A Ultra with Atlas CCD detector and graphite-monochromated Mo Kα radiation (λ= 0.71073 Å) at room temperature (SXRD.zip)..tiff files of comparison of FT-IR spectra of copper(II) complexes (1-13) and corresponding ligands (L1-L13), measured on Nicolet iS5 spectrophotometer in the spectral range 4000–400cm-1 by KBr pellet technique (FT-IR.zip).png files of HR-MS spectra for complexes 1-13 recorded on a Waters Xevo G2 Q-TOF mass spectrometer equipped with an ESI source operating in positive-ion modes (HR-MS.zip).xlsx files of absorption spectra of Cu(II) compounds 1-13 in diluted methanolic solutions (c = 10uM) and Cu(II) compounds 1-13 in concetrated methanolic solutions (c = 1mM), prepared with use of Nicolet Evolution 220 spectrophotometer in the spectral range 250–1000 nm (UV-Vis.zip).