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5-(3,5-Di-fluoro-phen-yl)-1-(4-fluoro-phen-yl)-3-tri-fluoro-methyl-1H-pyrazole.

ABSTRACT: In the title compound, C16H8F6N2, the dihedral angle between the pyrazole and di-fluoro-benzene rings is 50.30?(13)°, while those between the pyrazole and fluoro-benzene rings and between the di-fluoro-benzene and fluoro-benzene rings are 38.56?(13) and 53.50?(11)°, respectively. Aromatic ?-? stacking inter-actions between adjacent di-fluoro-benzene rings [centroid-centroid separation = 3.6082?(11)?Å] link the mol-ecules into dimers parallel to [21-2].

SUBMITTER: Manoj Kumar KE 

PROVIDER: S-EPMC3914069 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature

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5-(3,5-Di-fluoro-phen-yl)-1-(4-fluoro-phen-yl)-3-tri-fluoro-methyl-1H-pyrazole.

Manoj Kumar Karikere Ekanna KE   Suchetan Parameshwar Adimoole PA   Palakshamurthy Bandrehalli Siddagangaiah BS   Madan Kumar Shankar S   Lokanath Neratur Krishnappagowda NK   Sreenivasa Swamy S  

Acta crystallographica. Section E, Structure reports online 20131207 Pt 1

In the title compound, C16H8F6N2, the dihedral angle between the pyrazole and di-fluoro-benzene rings is 50.30 (13)°, while those between the pyrazole and fluoro-benzene rings and between the di-fluoro-benzene and fluoro-benzene rings are 38.56 (13) and 53.50 (11)°, respectively. Aromatic π-π stacking inter-actions between adjacent di-fluoro-benzene rings [centroid-centroid separation = 3.6082 (11) Å] link the mol-ecules into dimers parallel to [21-2]. ...[more]

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