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. 2012 Mar 1;68(Pt 3):m312-3.
doi: 10.1107/S160053681200668X. Epub 2012 Feb 24.

Tris(3-nitro-pentane-2,4-dionato-κO,O')-cobalt(III)

Dean H Johnston  1 , Jack T Brangham, Christopher D Rapp
Affiliations

Tris(3-nitro-pentane-2,4-dionato-κO,O')-cobalt(III)

Dean H Johnston et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

The structure of the title compound, [Co(C(5)H(6)NO(4))(3)], consists of a Co(III) ion octahedrally coordinated by three bidentate 3-nitro-pentane-2,4-dionate ligands. The complex was prepared via the nitration of tris-(2,4-penta-nedionato-κ(2)O,O')cobalt(III) with a solution of copper(II) nitrate in glacial acetic acid. The central C atom and the nitro group of one 3-nitro-pentane-2,4-dionate ligand are disordered over two positions with an occupancy ratio of 0.848 (4):0.152 (4). A second nitro group is also disordered over two orientations with an occupancy ratio of 0.892 (7):0.108 (7). Two of the ligand methyl groups form C-H⋯O inter-actions with two different nitro groups to form chains running along the c axis. Additional C-H⋯O inter-actions are found between ligand methyl groups and the cobalt-bound O atoms, also resulting in the formation of chains along the c axis.

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Figures

Fig. 1.
Fig. 1.
The molecular structure of the title compound showing the atom labeling scheme and drawn with 50% probability displacement ellipsoids for non-H atoms.
Fig. 2.
Fig. 2.
The packing of the title compound viewed along the c axis. The minor components of the disordered ligands are not shown.
Fig. 3.
Fig. 3.
Hydrogen-bond interactions in the title compound. The C—H···O contacts are shown with dashed lines. (a) The C1—H1B···O7i contact, (b) the C11—H11B···O12ii contact, (c) the C10—H10C···O5iii contact, (d) the C15—H15C···O3iv contact. [Symmetry codes: (i) -x + 1, y, z - 1/2; (ii) x, -y + 1, z - 1/2; (iii) -y + 1, x - 1/2, z + 1/4; (iv) x, y, z + 1.]
Fig. 4.
Fig. 4.
The four different types of C(6) hydrogen-bonded chains formed by the title compound. The C—H···O contacts are shown with dashed lines. (a) The C1—H1B···O7i chain, viewed along the b axis, (b) the C11—H11B···O12ii chain, viewed along the a axis, (c) the C10—H10C···O5iii chain, viewed along the c axis (d) the C15—H15C···O3iv chain, viewed along the a axis. [Symmetry codes: (i) -x + 1, y, z - 1/2; (ii) x, -y + 1, z - 1/2; (iii) -y + 1, x - 1/2, z + 1/4; (iv) x, y, z + 1.]
See this image and copyright information in PMC

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