Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)

metal-organic compounds

fa3292 scheme

Acta Cryst. (2013). C69, 225-228    [ doi:10.1107/S0108270113000814 ]

A novel amido-pyrophosphate MnII chelate complex with the synthetic ligand O{P(O)[NHC(CH3)3]2}2 (L): [Mn(L)2{OC(H)N(CH3)2}2]Cl2·2H2O

A. Tarahhomi, M. Pourayoubi, K. Fejfarová and M. Dusek

Abstract: The title complex, trans-bis(dimethylformamide-[kappa]O)bis{N,N'-N'',N'''-tetra-tert-butyl[oxybis(phosphonic diamide-[kappa]O)]}manganese(II) dichloride dihydrate, [Mn(C16H40N4O3P2)2(C3H7NO)2]Cl2·2H2O, is the first example of a bis-chelate amido-pyrophosphate (pyrophosphoramide) complex containing an O[P(O)(NH)2]2 fragment. Its asymmetric unit contains half of the complex dication, one chloride anion and one water molecule. The MnII atom, located on an inversion centre, is octahedrally coordinated, with a slight elongation towards the monodentate dimethylformamide ligand. Structural features of the title complex, such as the P=O bond lengths and the planarity of the chelate ring, are compared with those of previously reported complexes with six-membered chelates involving the fragments C(O)NHP(O), (X)NP(O) [X = C(O), C(S), S(O)2 and P(O)] and O[P(O)(N)2]2. This analysis shows that the six-membered chelate rings are less puckered in pyrophosphoramide complexes containing a P(O)OP(O) skeleton, such as the title compound. The extended structure of the title complex involves a linear aggregate mediated by N-H...O and N-H...Cl hydrogen bonds, in which the chloride anion is an acceptor in two additional O-H...Cl hydrogen bonds.

Formula: [Mn(C16H40N4O3P2)2(C3H7NO)2]Cl2·2H2O

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[ doi:10.1107/S0108270113000814/fa3292sup3.pdf ]
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