Herbst Leandra, Koen Renier, Roodt Andreas, Visser Hendrik G
Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):m801-2. doi: 10.1107/S1600536810021719.
In the title compound, [Nb(CH(3)O)(3)(C(5)H(7)O(2))Cl], the Nb(V) atom is coordinated by two O atoms from the chelating acetyl-acetonate ligand, three O atoms from the methano-late groups and one chloride ligand. The octa-hedral environment around niobium is slightly distorted with Nb-O distances in the range 1.8603 (15)-2.1083 (15) Å and an Nb-Cl distance of 2.4693 (9) Å. The O-Nb-O angles vary between 80.74 (6) and 100.82 (7)°, while the trans Cl-Nb-O angle is 167.60 (5)°. There are no hydrogen bonds observed, only an inter-molecular C-H⋯O inter-action.
在标题化合物[Nb(CH₃O)₃(C₅H₇O₂)Cl]中,Nb(V)原子由螯合乙酰丙酮配体的两个O原子、甲醇盐基团的三个O原子和一个氯配体配位。铌周围的八面体环境略有扭曲,Nb - O距离在1.8603 (15) - 2.1083 (15) Å范围内,Nb - Cl距离为2.4693 (9) Å。O - Nb - O角度在80.74 (6)°至100.82 (7)°之间变化,而反式Cl - Nb - O角度为167.60 (5)°。未观察到氢键,仅存在分子间C - H⋯O相互作用。