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Structure of Co(II), Ni(II), and V(IV)O Complexes with 4-Phenyl-3-thiosemicarbazidediacetic Acid
Kravtsov, V. Kh.,Lipkowsky, J.,Bologa, O. A.,Lozan, V. I.,Simonov, Yu. A.,et al.
, p. 327 - 334 (2008/10/08)
The crystal structures of Co(II) (I), Ni(II) (II), and V(IV)O (III) complexes with 4-phenyl-3-thiosemicarbazidediacetic acid are determined by X-ray diffraction analysis. Single crystals I and II are isostructural and triclinic, space group P1-. I: a = 15.665(5) ?, b = 7.411(2) ?, c = 6.673(3) ?, α = 103.12(3)°, β = 95.29(3)°, γ = 98.18(2)°; II: a = 15.570(2) ?, b = 7.333(1) ?, c = 6.668(1) ?, α = 104.49(1)°, β = 94.28(1)°, γ = 97.90(1)° Single crystals III are monoclinic: space group P21/n, a = 6.703(2) ?, b = 12.470(7) ?, c = 16.952(6) ?, γ = 95.10(4)° In all three complexes, the oragnic molecule acts as a doubly deprotonated tetradentate tripodal ligand. The ligand is attached to a metal through the S, N, O, and O atoms to form three metallocycles. The coordination environment of the central atom is completed to six by two H2O molecules, in I and II, or by the vanadyloxygen atom and one water molecule, in III. When involved in complex fo rmation, 4-phenyl-3-thiosemicarbazidediacetic acid appears to be a classic complexone of the monoamine series: intramolecular H-cycles formed byacetate branches convert to metallocycles with retention of their orien tation. The main conformational rearrangement of the ligand is due to the change of thiosemicarbazide moiety conformation from E to Z, which accompanies the metallocycle formation.
