3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol

The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol­ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol­ecules are 79.44 (6) and 77.81 (6)°. In the cr...

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Autores principales: Shahani, Tara, Fun, Hoong-Kun, Ragavan, R. Venkat, Vijayakumar, V., Sarveswari, S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007551/
https://www.ncbi.nlm.nih.gov/pubmed/21588264
http://dx.doi.org/10.1107/S1600536810025948
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author Shahani, Tara
Fun, Hoong-Kun
Ragavan, R. Venkat
Vijayakumar, V.
Sarveswari, S.
author_facet Shahani, Tara
Fun, Hoong-Kun
Ragavan, R. Venkat
Vijayakumar, V.
Sarveswari, S.
author_sort Shahani, Tara
collection PubMed
description The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol­ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol­ecules are 79.44 (6) and 77.81 (6)°. In the crystal, mol­ecules are linked by O⋯H—N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by π–π inter­actions [centroid–centroid separations = 3.5409 (10) and 3.6335 (10) Å].
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spelling pubmed-30075512010-12-30 3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol Shahani, Tara Fun, Hoong-Kun Ragavan, R. Venkat Vijayakumar, V. Sarveswari, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(13)H(13)F(3)N(2)O(2), crystallizes with two independent mol­ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol­ecules are 79.44 (6) and 77.81 (6)°. In the crystal, mol­ecules are linked by O⋯H—N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by π–π inter­actions [centroid–centroid separations = 3.5409 (10) and 3.6335 (10) Å]. International Union of Crystallography 2010-07-07 /pmc/articles/PMC3007551/ /pubmed/21588264 http://dx.doi.org/10.1107/S1600536810025948 Text en © Shahani 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
Shahani, Tara
Fun, Hoong-Kun
Ragavan, R. Venkat
Vijayakumar, V.
Sarveswari, S.
3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol
title 3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol
title_full 3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol
title_fullStr 3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol
title_full_unstemmed 3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol
title_short 3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol
title_sort 3-ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1h-pyrazol-5-ol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007551/
https://www.ncbi.nlm.nih.gov/pubmed/21588264
http://dx.doi.org/10.1107/S1600536810025948
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