3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

In the title mol­ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl­ene C atom deviating by 0.114 (3) Å from the mean plane of the other four atoms [maximum deviation = 0.021 (3) Å]. The dihedral angles between the four essentially planar atoms of the...

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Autores principales: Baktır, Zeliha, Akkurt, Mehmet, Samshuddin, S., Narayana, B., Yathirajan, H. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120319/
https://www.ncbi.nlm.nih.gov/pubmed/21754699
http://dx.doi.org/10.1107/S160053681101587X
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author Baktır, Zeliha
Akkurt, Mehmet
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
author_facet Baktır, Zeliha
Akkurt, Mehmet
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
author_sort Baktır, Zeliha
collection PubMed
description In the title mol­ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl­ene C atom deviating by 0.114 (3) Å from the mean plane of the other four atoms [maximum deviation = 0.021 (3) Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6 (2) and 82.2 (2)°. The dihedral angle between the two benzene rings is 83.7 (2)°. The crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
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spelling pubmed-31203192011-07-13 3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde Baktır, Zeliha Akkurt, Mehmet Samshuddin, S. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl­ene C atom deviating by 0.114 (3) Å from the mean plane of the other four atoms [maximum deviation = 0.021 (3) Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6 (2) and 82.2 (2)°. The dihedral angle between the two benzene rings is 83.7 (2)°. The crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds. International Union of Crystallography 2011-05-07 /pmc/articles/PMC3120319/ /pubmed/21754699 http://dx.doi.org/10.1107/S160053681101587X Text en © Baktır 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
Baktır, Zeliha
Akkurt, Mehmet
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
title 3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
title_full 3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
title_fullStr 3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
title_full_unstemmed 3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
title_short 3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde
title_sort 3,5-bis(4-fluoro­phen­yl)-4,5-dihydro-1h-pyrazole-1-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120319/
https://www.ncbi.nlm.nih.gov/pubmed/21754699
http://dx.doi.org/10.1107/S160053681101587X
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