Abstract
There are two molecules in the asymmetric unit of the title compound, C12H9BrF2N2O. They have very similar conformations: the dihedral angles between their pyrazole and benzene ring systems are 78.4 (3) and 78.6 (4)°. In the crystal, weak aromatic π–π stacking [centroid–centroid separation = 3.696 (5) Å] helps to establish the packing.
Highlights
There are two molecules in the asymmetric unit of the title compound, C12H9BrF2N2O. They have very similar conformations: the dihedral angles between their pyrazole and benzene ring systems are 78.4 (3) and 78.6 (4)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5260)
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry
Summary
Absorption correction: numerical (CrystalClear; Rigaku, 2008) Tmin = 0.596, Tmax = 0.596. There are two molecules in the asymmetric unit of the title compound, C12H9BrF2N2O. They have very similar conformations: the dihedral angles between their pyrazole and benzene ring systems are 78.4 (3) and 78.6 (4). Data collection: CrystalClear (Rigaku, 2008); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97
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