2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate

In the crystal structure of the title compound, C(28)H(23)F(3)N(4)S·CHCl(3), the chloro­form solvate mol­ecules connect the pyrimidine mol­ecules into chains along [101] through weak C—H⋯N and C—H⋯Cl hydrogen-bond inter­actions. There are further connections between adjacent chains through F⋯Cl halo...

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Autores principales: Flores, Alex Fabiani Claro, Flores, Darlene Correia, Vicenti, Juliano Rosa de Menezes, Campos, Patrick Teixeira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120551/
https://www.ncbi.nlm.nih.gov/pubmed/25161574
http://dx.doi.org/10.1107/S160053681401321X
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author Flores, Alex Fabiani Claro
Flores, Darlene Correia
Vicenti, Juliano Rosa de Menezes
Campos, Patrick Teixeira
author_facet Flores, Alex Fabiani Claro
Flores, Darlene Correia
Vicenti, Juliano Rosa de Menezes
Campos, Patrick Teixeira
author_sort Flores, Alex Fabiani Claro
collection PubMed
description In the crystal structure of the title compound, C(28)H(23)F(3)N(4)S·CHCl(3), the chloro­form solvate mol­ecules connect the pyrimidine mol­ecules into chains along [101] through weak C—H⋯N and C—H⋯Cl hydrogen-bond inter­actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the –CF(3) group presenting a significant short F⋯F inter­chain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings.
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spelling pubmed-41205512014-08-26 2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate Flores, Alex Fabiani Claro Flores, Darlene Correia Vicenti, Juliano Rosa de Menezes Campos, Patrick Teixeira Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(28)H(23)F(3)N(4)S·CHCl(3), the chloro­form solvate mol­ecules connect the pyrimidine mol­ecules into chains along [101] through weak C—H⋯N and C—H⋯Cl hydrogen-bond inter­actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the –CF(3) group presenting a significant short F⋯F inter­chain distance of 2.712 (4) Å. The five-membered pyrazole ring is approximately planar (r.m.s. deviation = 0.050 Å). The pyrimidine ring makes dihedral angles of 84.15 (8) and 4.56 (8)° with the benzene rings. International Union of Crystallography 2014-06-18 /pmc/articles/PMC4120551/ /pubmed/25161574 http://dx.doi.org/10.1107/S160053681401321X Text en © Flores et al. 2014 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
Flores, Alex Fabiani Claro
Flores, Darlene Correia
Vicenti, Juliano Rosa de Menezes
Campos, Patrick Teixeira
2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
title 2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
title_full 2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
title_fullStr 2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
title_full_unstemmed 2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
title_short 2-[5-(2-Methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1H-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
title_sort 2-[5-(2-methyl­phen­yl)-3-(2-methyl­styryl)-4,5-di­hydro-1h-pyrazol-1-yl]-6-(thio­phen-2-yl)-4-(tri­fluoro­meth­yl)pyrimidine chloro­form monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120551/
https://www.ncbi.nlm.nih.gov/pubmed/25161574
http://dx.doi.org/10.1107/S160053681401321X
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