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

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 mol­ecules are located around inversion centres. In the crystal, mol­ecules related by centres of symmetry form...

Descripción completa

Detalles Bibliográficos
Autores principales: Szlachcic, Paweł, Stadnicka, Katarzyna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983603/
https://www.ncbi.nlm.nih.gov/pubmed/21580342
http://dx.doi.org/10.1107/S1600536810004496
_version_ 1782191912462057472
author Szlachcic, Paweł
Stadnicka, Katarzyna
author_facet Szlachcic, Paweł
Stadnicka, Katarzyna
author_sort Szlachcic, Paweł
collection PubMed
description 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 mol­ecules are located around inversion centres. In the crystal, mol­ecules 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 angles of 29.66 (7), 44.59 (7) and 67.94 (6)°, respectively.
format Text
id pubmed-2983603
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29836032010-12-30 6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate Szlachcic, Paweł Stadnicka, Katarzyna Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 mol­ecules are located around inversion centres. In the crystal, mol­ecules 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 angles of 29.66 (7), 44.59 (7) and 67.94 (6)°, respectively. International Union of Crystallography 2010-02-10 /pmc/articles/PMC2983603/ /pubmed/21580342 http://dx.doi.org/10.1107/S1600536810004496 Text en © Szlachcic and Stadnicka 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Szlachcic, Paweł
Stadnicka, Katarzyna
6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate
title 6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate
title_full 6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate
title_fullStr 6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate
title_full_unstemmed 6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate
title_short 6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate
title_sort 6-fluoro-1,3,4-triphenyl-1h-pyrazolo[3,4-b]quinoline benzene hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983603/
https://www.ncbi.nlm.nih.gov/pubmed/21580342
http://dx.doi.org/10.1107/S1600536810004496
work_keys_str_mv AT szlachcicpaweł 6fluoro134triphenyl1hpyrazolo34bquinolinebenzenehemisolvate
AT stadnickakatarzyna 6fluoro134triphenyl1hpyrazolo34bquinolinebenzenehemisolvate

Ejemplares similares