TY - JOUR

T1 - Crystal Structures and Characteristics of Hirshfeld Surfaces of Co(II) β-Iminoketonate Derivatives

AU - Dorovskikh, S. I.

AU - Piryazev, D. A.

AU - Stabnikov, P. A.

AU - Morozova, N. B.

PY - 2019/7/1

Y1 - 2019/7/1

N2 - 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) Å3, 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) Å3, 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) Å3, 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) Å3, 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.

AB - 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) Å3, 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) Å3, 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) Å3, 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) Å3, 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.

KW - cobalt

KW - Hirshfeld surface

KW - XRD

KW - β-iminoketonate complexes

KW - beta-iminoketonate complexes

KW - LOW-TEMPERATURE OXIDATION

KW - GROWTH

KW - CO3O4 THIN-FILMS

KW - CATALYSTS

UR - http://www.scopus.com/inward/record.url?scp=85070237426&partnerID=8YFLogxK

U2 - 10.1134/S0022476619070059

DO - 10.1134/S0022476619070059

M3 - Article

AN - SCOPUS:85070237426

VL - 60

SP - 1052

EP - 1061

JO - Journal of Structural Chemistry

JF - Journal of Structural Chemistry

SN - 0022-4766

IS - 7

ER -