Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1297, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2023.136830
Keywords
One-pot cocrystallization; Cobalt complex; Triclopyr; Conformational flexibility; Hirshfeld surface analyses; Magnetic properties
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This study synthesized two cobalt(II) complexes and analyzed their crystal structures using single-crystal X-ray diffraction. The results showed that the crystal structures of these complexes were different, and they exhibited different crystal packing and magnetic properties.
A pair of cobalt(II) complexes with formulas of [Co(3,5,6-tcpa)(2,2 '-bpy)Cl] (1A) and [Co(3,5,6-tcpa)2(2,2 '- bpy)]n (1B) have been cocrystallized by the solvothermal reaction of cobalt chloride hexahydrate with triclopyr (systematic name 2-((3,5,6-trichloropyridin-2-yl) oxy)acetic acid, abbreviation 3,5,6-Htcpa) and 2,2 '-bipyridine (2,2 '-bpy). Single-crystal X-ray diffraction analysis indicated that both 1A and 1B crystallized in triclinic system, space group P1 (no. 2). Compound 1A is mononuclear and 3,5,6-tcpa anion in it is a bidentate chelate ligand. In contrast, 1B is a 1D double-stranded chain structure in which 3,5,6-tcpa are bidentate bridging-mu 2 linkers. The non-covalent interactions of Cl center dot center dot center dot Cl halogen bonds, C-H center dot center dot center dot O/Cl hydrogen bonds as well as 7L center dot center dot center dot 7L stacking interactions play an important part in their crystal packing, which have been confirmed by the careful Hirshfeld surface analyses. After deeply structural analyses, it was proposed that flexible conformation alteration of 3,5,6-tcpa might be in charge of the cocrystallization phenomenon of 1A and 1B. In addition, the magnetic characterizations suggested antiferromagnetic coupling between neighbouring cobalt(II) centers in 1B.
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