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2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine

The reaction of 2,4-dichloro-5-(trifluoro­meth­yl)pyrimidine with 1H-pyrazole gave two structural isomers in a 1:1 ratio that were separable by chromatography. The title compound, C(8)H(4)ClF(3)N(4), was the first product to elute and was characterized in the present study to confirm that substituti...

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Detalles Bibliográficos
Autores principales: Bunker, Kevin D., Moore, Curtis, Palmer, Cynthia L., Rheingold, Arnold L., Yanovsky, Alex
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979378/
https://www.ncbi.nlm.nih.gov/pubmed/21579519
http://dx.doi.org/10.1107/S1600536810018854
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author Bunker, Kevin D.
Moore, Curtis
Palmer, Cynthia L.
Rheingold, Arnold L.
Yanovsky, Alex
author_facet Bunker, Kevin D.
Moore, Curtis
Palmer, Cynthia L.
Rheingold, Arnold L.
Yanovsky, Alex
author_sort Bunker, Kevin D.
collection PubMed
description The reaction of 2,4-dichloro-5-(trifluoro­meth­yl)pyrimidine with 1H-pyrazole gave two structural isomers in a 1:1 ratio that were separable by chromatography. The title compound, C(8)H(4)ClF(3)N(4), was the first product to elute and was characterized in the present study to confirm that substitution by the pyrazolyl group had occurred at position 4. The mol­ecule (with the exception of the F atoms) is essentially planar, with a mean deviation of 0.034 Å from the least-squares plane through all non-H and non-F atoms. The bond angles in the pyrimidine ring show a pronounced alternating pattern with three angles, including those at the two N atoms being narrower, and the remaining three wider than 120°.
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spelling pubmed-29793782010-12-30 2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine Bunker, Kevin D. Moore, Curtis Palmer, Cynthia L. Rheingold, Arnold L. Yanovsky, Alex Acta Crystallogr Sect E Struct Rep Online Organic Papers The reaction of 2,4-dichloro-5-(trifluoro­meth­yl)pyrimidine with 1H-pyrazole gave two structural isomers in a 1:1 ratio that were separable by chromatography. The title compound, C(8)H(4)ClF(3)N(4), was the first product to elute and was characterized in the present study to confirm that substitution by the pyrazolyl group had occurred at position 4. The mol­ecule (with the exception of the F atoms) is essentially planar, with a mean deviation of 0.034 Å from the least-squares plane through all non-H and non-F atoms. The bond angles in the pyrimidine ring show a pronounced alternating pattern with three angles, including those at the two N atoms being narrower, and the remaining three wider than 120°. International Union of Crystallography 2010-05-26 /pmc/articles/PMC2979378/ /pubmed/21579519 http://dx.doi.org/10.1107/S1600536810018854 Text en © Bunker et al. 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
Bunker, Kevin D.
Moore, Curtis
Palmer, Cynthia L.
Rheingold, Arnold L.
Yanovsky, Alex
2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
title 2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
title_full 2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
title_fullStr 2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
title_full_unstemmed 2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
title_short 2-Chloro-4-(1H-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
title_sort 2-chloro-4-(1h-pyrazol-1-yl)-5-(trifluoro­meth­yl)pyrimidine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979378/
https://www.ncbi.nlm.nih.gov/pubmed/21579519
http://dx.doi.org/10.1107/S1600536810018854
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