Crystal Structures and Characteristics of Hirshfeld Surfaces of Co(II) β-Iminoketonate Derivatives

Resumo

A series of Co β-iminoketonate derivatives with the general formula Co(L¹)₂, (L¹ = i-acac (R = H, R¹ = R² = Me) – (1), Mei-acac (R = R¹ = R² = Me) – (2), i-thd (R = H, R¹ = R² = ^tBu) – (3), Mei-thd (R = Me, R¹ = R² = ^tBu) – (4)) and Co(L²) (L²= dmpda(acac)₂ – (5) are obtained by the reaction of CoCl₂ with the sodium salt of the corresponding β-iminoketonate ligand (L¹ = R¹C(O)CHC(NR)CR² or L² = MeC(O)CHC(Me)(NCH₂C(Me)2CH₂N)C(Me)CHC(O)Me) in methanol. Complexes 1-5 are characterized by the methods of elemental analysis, X-ray diffraction, and IR spectroscopy. The crystal cell parameters at 293 K are as follows: space group Сс, a = 13.7304(9) Å, b = 5.5516(4) Å, с = 18.4034(12) Å, β = 101.964(2)°, V = 1372.34(16) ų, Z = 4 (2); space group P2₁/n, a = 9.953(2) Å, b = 12.074(3) Å, с = 11.161(2) Å, β = 109.924(8)°, V = 1260.9(5) ų, Z = 2 (3); space group P1̅, a = 11.7982(7) Å, b = 13.1673(9) Å, с = 17.6159(10) Å, α = 71.493(2)°, β = 83.478(2)°, γ = 72.829(2)°, V = 2478.7(3) ų, Z = 4 (4); space group Pbca, a = 7.8635(2) Å, b = 14.0521(4) Å, с = 29.8715(9) Å, V = 3300.76(16) ų, Z = 8 (5). Two pairs of shortened contacts are revealed in molecules 2 and 5 when studying their Hirshfeld surfaces. It is shown with the thermogravimetry method that complexes 1 and 2 are the most volatile in the studied series.