1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

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 occupa...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-02, Vol.66 (Pt 3), p.o582-o583
Main Authors: Fun, Hoong-Kun, Hemamalini, Madhukar, Samshuddin, S, Narayana, B, Yathirajan, H S
Format: Article
Language:English
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Organic Papers
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Summary: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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536810004435