Unknown

Dataset Information

0

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

ABSTRACT: 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 ??? stacking inter-actions [centroid-centroid distance = 3.7508?(13)?Å], forming a three-dimensional network.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2983722 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

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

Fun Hoong-Kun HK   Hemamalini Madhukar M   Samshuddin S S   Samshuddin S S   Narayana B B   Yathirajan H S HS  

Acta crystallographica. Section E, Structure reports online 20100210 Pt 3

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  ...[more]

Similar Datasets

Unknown 1-[3,5-Bis(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
| S-EPMC3007262 | biostudies-literature
Unknown 1-[3-(4-Fluoro-phen-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
| S-EPMC3435661 | biostudies-literature
Unknown 3,5-Bis(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.
| S-EPMC3007318 | biostudies-literature
Unknown 3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde.
| S-EPMC3120319 | biostudies-literature
Unknown 3,5-Bis(4-fluoro-phen-yl)-1-(4-nitro-phen-yl)-4,5-dihydro-1H-pyrazole.
| S-EPMC3515302 | biostudies-literature
Unknown 2-[3,5-Bis-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluoro-phenyl)pyrimidine.
| S-EPMC3297871 | biostudies-other
Unknown 1-[3-(2,4-Dichloro-5-fluoro-phen-yl)-5-(3-methyl-2-thien-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
| S-EPMC2959565 | biostudies-literature
Unknown 3,5-Bis[1-acetyl-5-(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-pyridine.
| S-EPMC2960675 | biostudies-literature
Unknown 1-{5-[4-(Hex-yloxy)phen-yl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}ethanone.
| S-EPMC2983223 | biostudies-literature
Unknown 1-[5-(4-Meth-oxy-phen-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
| S-EPMC3011559 | biostudies-literature