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2-[5-(2-Methyl-phen-yl)-3-(2-methyl-styryl)-4,5-di-hydro-1H-pyrazol-1-yl]-6-(thio-phen-2-yl)-4-(tri-fluoro-meth-yl)pyrimidine chloro-form monosolvate.

Flores AF, Flores DC, Vicenti JR, Campos PT - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Escola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália, km 08, Campus Carreiros, 96203-900 Rio Grande, RS, Brazil.

ABSTRACT
In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloro-form solvate mol-ecules connect the pyrimidine mol-ecules into chains along [101] through weak C-H⋯N and C-H⋯Cl hydrogen-bond inter-actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain 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.

No MeSH data available.


Asymmetric unit of the title compound. Ellipsoid probability: 50%.
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Fap1: Asymmetric unit of the title compound. Ellipsoid probability: 50%.


2-[5-(2-Methyl-phen-yl)-3-(2-methyl-styryl)-4,5-di-hydro-1H-pyrazol-1-yl]-6-(thio-phen-2-yl)-4-(tri-fluoro-meth-yl)pyrimidine chloro-form monosolvate.

Flores AF, Flores DC, Vicenti JR, Campos PT - Acta Crystallogr Sect E Struct Rep Online (2014)

Asymmetric unit of the title compound. Ellipsoid probability: 50%.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4120551&req=5

Fap1: Asymmetric unit of the title compound. Ellipsoid probability: 50%.
Bottom Line: There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Escola de Química e Alimentos, Universidade Federal do Rio Grande, Av. Itália, km 08, Campus Carreiros, 96203-900 Rio Grande, RS, Brazil.

ABSTRACT
In the crystal structure of the title compound, C28H23F3N4S·CHCl3, the chloro-form solvate mol-ecules connect the pyrimidine mol-ecules into chains along [101] through weak C-H⋯N and C-H⋯Cl hydrogen-bond inter-actions. There are further connections between adjacent chains through F⋯Cl halogen contacts of 3.185 (3) Å, with the -CF3 group presenting a significant short F⋯F inter-chain 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.

No MeSH data available.