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5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide

The central pyrazole ring in the title compound, C(17)H(16)FN(3)S, adopts an envelope conformation with the methine C atom bearing the 4-fluoro­phenyl substituent as the flap atom. Whereas the tolyl ring is slightly twisted out of the least-squares plane through the pyrazole ring [dihedral angle = 1...

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Detalles Bibliográficos
Autores principales: Abdel-Wahab, Bakr F., Mohamed, Hanan A., Khidre, Rizk E., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588501/
https://www.ncbi.nlm.nih.gov/pubmed/23476571
http://dx.doi.org/10.1107/S1600536813004194
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author Abdel-Wahab, Bakr F.
Mohamed, Hanan A.
Khidre, Rizk E.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Abdel-Wahab, Bakr F.
Mohamed, Hanan A.
Khidre, Rizk E.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Abdel-Wahab, Bakr F.
collection PubMed
description The central pyrazole ring in the title compound, C(17)H(16)FN(3)S, adopts an envelope conformation with the methine C atom bearing the 4-fluoro­phenyl substituent as the flap atom. Whereas the tolyl ring is slightly twisted out of the least-squares plane through the pyrazole ring [dihedral angle = 13.51 (11)°], the fluoro­benzene ring is almost perpendicular [dihedral angle = 80.21 (11)°]. The thio­amide group is almost coplanar with the N—N bond of the ring [N—N—C—N torsion angle = 1.2 (3)°] and the amine group forms an intra­molecular hydrogen bond with a ring N atom. In the crystal, supra­molecular double layers in the bc plane are formed via N—H⋯S, N—H⋯F and C—H⋯F inter­actions.
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spelling pubmed-35885012013-03-08 5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide Abdel-Wahab, Bakr F. Mohamed, Hanan A. Khidre, Rizk E. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The central pyrazole ring in the title compound, C(17)H(16)FN(3)S, adopts an envelope conformation with the methine C atom bearing the 4-fluoro­phenyl substituent as the flap atom. Whereas the tolyl ring is slightly twisted out of the least-squares plane through the pyrazole ring [dihedral angle = 13.51 (11)°], the fluoro­benzene ring is almost perpendicular [dihedral angle = 80.21 (11)°]. The thio­amide group is almost coplanar with the N—N bond of the ring [N—N—C—N torsion angle = 1.2 (3)°] and the amine group forms an intra­molecular hydrogen bond with a ring N atom. In the crystal, supra­molecular double layers in the bc plane are formed via N—H⋯S, N—H⋯F and C—H⋯F inter­actions. International Union of Crystallography 2013-02-16 /pmc/articles/PMC3588501/ /pubmed/23476571 http://dx.doi.org/10.1107/S1600536813004194 Text en © Abdel-Wahab et al. 2013 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
Abdel-Wahab, Bakr F.
Mohamed, Hanan A.
Khidre, Rizk E.
Ng, Seik Weng
Tiekink, Edward R. T.
5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title 5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_full 5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_fullStr 5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_full_unstemmed 5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_short 5-(4-Fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbothio­amide
title_sort 5-(4-fluoro­phen­yl)-3-(4-methyl­phen­yl)-4,5-dihydro-1h-pyrazole-1-carbothio­amide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588501/
https://www.ncbi.nlm.nih.gov/pubmed/23476571
http://dx.doi.org/10.1107/S1600536813004194
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