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6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate.

ABSTRACT: In the title compound, C(28)H(18)FN(3)·0.5C(6)H(6), the 1H-pyrazolo[3,4-b]quinoline core is almost planar (r.m.s = 0.0371?Å, maximum deviation = 0.0571?Å) and aromatic. The solvent benzene mol-ecules are located around inversion centres. In the crystal, mol-ecules related by centres of symmetry form dimers, with distances of 3.932?(3)?Å between best planes through the fused core due to ??? stacking. The phenyl substituents at positions 1, 3 and 4, are twisted away from the core, making dihedral angles of 29.66?(7), 44.59?(7) and 67.94?(6)°, respectively.

SUBMITTER: Szlachcic P

PROVIDER: S-EPMC2983603 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate.

Szlachcic Paweł P Stadnicka Katarzyna K

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

In the title compound, C(28)H(18)FN(3)·0.5C(6)H(6), the 1H-pyrazolo[3,4-b]quinoline core is almost planar (r.m.s = 0.0371 Å, maximum deviation = 0.0571 Å) and aromatic. The solvent benzene mol-ecules are located around inversion centres. In the crystal, mol-ecules related by centres of symmetry form dimers, with distances of 3.932 (3) Å between best planes through the fused core due to π⋯π stacking. The phenyl substituents at positions 1, 3 and 4, are twisted away from the core, making dihedral ...[more]

PMID: 21580342

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