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4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one
In the title compound, C(25)H(16)F(2)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.028 Å) and makes a dihedral angle of 5.86 (11)° with the indazole benzene ring. The dihedral angle between the pyrazole ring and the unsubstituted phenyl ring is 28.19 (11)°. The dihedral angles betw...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120412/ https://www.ncbi.nlm.nih.gov/pubmed/21754741 http://dx.doi.org/10.1107/S1600536811016369 |
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author | Butcher, R. J. Akkurt, M. Samshuddin, S. Narayana, B. Yathirajan, H. S. |
author_facet | Butcher, R. J. Akkurt, M. Samshuddin, S. Narayana, B. Yathirajan, H. S. |
author_sort | Butcher, R. J. |
collection | PubMed |
description | In the title compound, C(25)H(16)F(2)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.028 Å) and makes a dihedral angle of 5.86 (11)° with the indazole benzene ring. The dihedral angle between the pyrazole ring and the unsubstituted phenyl ring is 28.19 (11)°. The dihedral angles between the unsubstituted phenyl and the two fluorophenyl groups are 57.69 (10) and 18.01 (10)°. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯F interactions, forming infinite chains along the b axis with graph-set motif R (3) (2)(19). The crystal structure is further consolidated by π–π stacking [centroid–centroid distances = 3.5916 (13) and 3.6890 (13) Å] and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3120412 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31204122011-07-13 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one Butcher, R. J. Akkurt, M. Samshuddin, S. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(16)F(2)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.028 Å) and makes a dihedral angle of 5.86 (11)° with the indazole benzene ring. The dihedral angle between the pyrazole ring and the unsubstituted phenyl ring is 28.19 (11)°. The dihedral angles between the unsubstituted phenyl and the two fluorophenyl groups are 57.69 (10) and 18.01 (10)°. In the crystal, molecules are linked by intermolecular N—H⋯O and C—H⋯F interactions, forming infinite chains along the b axis with graph-set motif R (3) (2)(19). The crystal structure is further consolidated by π–π stacking [centroid–centroid distances = 3.5916 (13) and 3.6890 (13) Å] and C—H⋯π interactions. International Union of Crystallography 2011-05-07 /pmc/articles/PMC3120412/ /pubmed/21754741 http://dx.doi.org/10.1107/S1600536811016369 Text en © Butcher et al. 2011 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 Butcher, R. J. Akkurt, M. Samshuddin, S. Narayana, B. Yathirajan, H. S. 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one |
title | 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one |
title_full | 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one |
title_fullStr | 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one |
title_full_unstemmed | 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one |
title_short | 4,6-Bis(4-fluorophenyl)-2-phenyl-1H-indazol-3(2H)-one |
title_sort | 4,6-bis(4-fluorophenyl)-2-phenyl-1h-indazol-3(2h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120412/ https://www.ncbi.nlm.nih.gov/pubmed/21754741 http://dx.doi.org/10.1107/S1600536811016369 |
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