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Aqua-bis-(3-fluoro-benzoato-?O)(1,10-phenanthroline-?N,N')copper(II).

ABSTRACT: In the title compound, [Cu(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the coordination around the Cu(II) atom is square-pyramidal. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 2.008?(3) and 2.019?(3)?Å] and two O atoms from 3-fluoro-benzoate ligands and a water mol-ecule [Cu-O = 1.950?(2) and 1.978?(2)?Å]. One O atom from another 3-fluoro-benzoate ligand occupies the apical positon [Cu-O = 2.210?(2)?Å]. Hydrogen bonds occur between coordinated water mol-ecules and benzoate ligands, while O-H?O, C-H?O, C-H?F and ?-? stacking [centroid-centroid distance = 3.731?(2)?Å] inter-actions consolidate the crystal packing.

SUBMITTER: Yin X

PROVIDER: S-EPMC3089262 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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Aqua-bis-(3-fluoro-benzoato-κO)(1,10-phenanthroline-κN,N')copper(II).

Yin Xin X

Acta crystallographica. Section E, Structure reports online 20110413 Pt 5

In the title compound, [Cu(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the coordination around the Cu(II) atom is square-pyramidal. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 2.008 (3) and 2.019 (3) Å] and two O atoms from 3-fluoro-benzoate ligands and a water mol-ecule [Cu-O = 1.950 (2) and 1.978 (2) Å]. One O atom from another 3-fluoro-benzoate ligand occupies the apical positon [Cu-O = 2.210 (2) Å]. Hydrogen bonds occur between coordinated wat ...[more]

PMID: 21754295

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