Dataset Information

9,10-Dibromo-phenanthrene.

ABSTRACT: The mol-ecule of the title compound, C(14)H(8)Br(2), is almost planar [maximum deviation 0.0355?(7)?Å] and possesses crystallographic twofold (C2) symmetry. In the crystal, the mol-ecules form face-to-face slipped anti-parallel ?-? stacking inter-actions along the c axis with an inter-planar distance 3.471?(7)?Å, centroid-centroid distances of 3.617?(5)-3.803?(6)?Å.

SUBMITTER: Yokota R

PROVIDER: S-EPMC3515267 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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9,10-Dibromo-phenanthrene.

Yokota Ruri R Kitamura Chitoshi C Kawase Takeshi T

Acta crystallographica. Section E, Structure reports online 20121020 Pt 11

The mol-ecule of the title compound, C(14)H(8)Br(2), is almost planar [maximum deviation 0.0355 (7) Å] and possesses crystallographic twofold (C2) symmetry. In the crystal, the mol-ecules form face-to-face slipped anti-parallel π-π stacking inter-actions along the c axis with an inter-planar distance 3.471 (7) Å, centroid-centroid distances of 3.617 (5)-3.803 (6) Å. ...[more]

PMID: 23284487

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Project description:A trinuclear nickel complex of phenanthrene-9,10-dione dioxime (H2pqd), namely bis-[μ2-9,10-bis-(oxido-imino)-phenanthrene]-bis-[μ2-10-(oxido-imino)phenanthrene-9-one oxime](phenanthrene-9,10-dione dioxime)trinickel(II) toluene disolvate, [Ni3(C14H8N2O2)2(C14H9N2O2)2(C14H10N2O2)]·2C7H8, has been isolated and its crystal structure determined. This complex features three independent Ni(II) atoms that are arranged in a triangular fashion along with five supporting ligands. There are two square-planar Ni(II) atoms and a third pseudo-octa-hedral Ni(II) atom. While the square-planar Ni(II) atoms are stacked, there are no ligand bridges between them. Each square-planar Ni(II) atom, however, bridges with the pseudo-octa--hedral Ni(II) atom through Ni-N-O-Ni and Ni-O-Ni bonds. A fluorido-bor-ation reaction of the proton-bridged species gave the analogous complex bis-(μ2-bis-{[10-(oxido-imino)-9,10-di-hydro-phenanthren-9-yl-idene]amino}di-fluorido-borato)(phenanthrene-9,10-dione dioxime)trinickel(II) dichloromethane trisolvate, [Ni3(C28H16BF2N4O2)4(C14H10N2O2)]·3CH2Cl2, which shows the same binding structure, but features a widened Ni-Ni inter-action between the square-planar Ni(II) atoms. The proton-bridged complex completes the macrocyclic coordination around the square-planar Ni(II) atoms by means of an O-H⋯O hydrogen bond. Both compounds feature O-H⋯N hydrogen bonds between the oxime and the N atoms attached to square-planar nickel atom. The nickel units show no direct inter-action with their nearest neighbors in the extended lattice. Two π-stacking inter-actions between adjacent mol-ecules are found: one with a centroid-centroid distance of 3.886 (2) Å and the other with a centroid-centroid distance of 4.256 (3) Å. In the latter case, although not aromatic, the distance to the centroid of the central phenanthrene ring is shorter, with a distance of 3.528 (3) Å. Toluene mol-ecules occupy the solvent channels that are oriented along the c axis. In the fluorido-boronate structure, the solvent (DCM) was too badly disordered to be modelled, so its contribution was removed using SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18].

Dataset Information

9,10-Dibromo-phenanthrene.

Publications

9,10-Dibromo-phenanthrene.

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