Acta Crystallographica Section E Structure Reports Online · 2010 · 34 citations · 10 references
Natural SciencesChemistryMedicinal ChemistryCrystal StructureOrganic ChemistrySupramolecular ChemistryCoordination ChemistryCrystal ChemistryCrystal SystemsHeterocyclic ChemistryIntermolecular ForcesMolecular SymmetryDihedral AnglePyrazole Chemistry
In the asymmetric unit of the title compound, C(17)H(14)F(2)N(2)O, there are three independent mol-ecules (A, B and C) which differ slightly in the relative orientations of the two fluoro-phenyl rings. In mol-ecules A and C one of the fluoro-phenyl rings is disordered over two positions, with occupancy ratios of 0.72 (2):0.28 (2) for mol-ecule A and 0.67 (2):0.33 (2) for mol-ecule C. The dihedral angle between the two fluoro-phenyl rings in the independent mol-ecules lie in the range 70.3 (3)-84.0 (3)°. In the crystal structure, the mol-ecules are linked via inter-molecular C-H⋯O and C-H⋯F hydrogen bonds and π⋯π stacking inter-actions [centroid-centroid distance = 3.7508 (13) Å], forming a three-dimensional network.
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George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text