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Polymorphism of the dinuclear CoIII–Schiff base complex [Co2(o-van-en)3]·4CH3CN (o-van-en is a salen-type ligand)

AuthorsVráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros
KeywordsDinuclear cobalt(III)
Crystal structure
Full interaction map
Schiff base ligand
Issue Date2019
PublisherInternational Union of Crystallography
CitationActa Crystallographica Section C: Structural Chemistry 75(4): 433-442 (2019)
AbstractReactions of Co(OH)2 with the Schiff base bis­(2-hy­droxy-3-meth­oxy­benzyl­idene)ethyl­enedi­amine, denoted H2(o-van-en), under different conditions yielded the previously reported complex aqua­[bis­(3-meth­oxy-2-oxido­benzyl­idene)ethyl­enedi­amine]­cobalt(II), [Co(C18H18N2O4)(H2O)], 1, under anaerobic conditions and two polymorphs of [μ-bis­(3-meth­oxy-2-oxido­benzyl­idene)ethyl­enedi­amine]­bis­{[bis­(3-meth­oxy-2-oxido­benzyl­idene)ethyl­enedi­amine]­cobalt(III)} aceto­nitrile tetra­solvate, [Co2(C18H18N2O4)3]·4CH3CN, i.e. monoclinic 2 and triclinic 3, in the presence of air. Both novel polymorphs were chemically and spectroscopically characterized. Their crystal structures are built up of centrosymmetric dinuclear [Co2(o-van-en)3] complex mol­ecules, in which each CoIII atom is coordinated by one tetra­dentate dianionic o-van-en ligand in an uncommon bent fashion. The pseudo-­octa­hedral coordination of the CoIII atom is completed by one phenolate O and one amidic N atom of the same arm of the bridging o-van-en ligand. In addition, the asymmetric units of both polymorphs contain two aceto­nitrile solvent mol­ecules. The polymorphs differ in the packing orders of the dinuclear [Co2(o-van-en)3] complex mol­ecules, i.e. alternating ABABAB in 2 and AAA in 3. In addition, differences in the conformations, the positions of the aceto­nitrile solvent mol­ecules and the pattern of inter­molecular inter­actions were observed. Hirshfeld surface analysis permits a qualitative inspection of the differences in the inter­molecular space in the two polymorphs. A knowledge-based study employing Full Inter­action Maps was used to elucidate possible reasons for the polymorphism.
Publisher version (URL)https://doi.org/10.1107/S2053229619003115
Appears in Collections:(ICMA) Artículos
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