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Tris[3,5-bis(trifluoromethyl)phenyl]phosphine oxide  [cached]
Omar bin Shawkataly,Mohd. Aslam A. Pankhi,Mohamed Ismail Mohamed-Ibrahim,M. Razak Hamdan
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809013488
Abstract: In the title compound, C24H9F18OP, an intramolecular C—H...O short contact generates a five-membered ring, producing an S(5) ring motif. The dihedral angles between the benzene rings are 57.68 (10), 77.80 (11) and 79.48 (10)°. Each of the six trifluoromethyl substituents shows rotational disorder over two positions with refined site-occupany ratios of 0.64 (3)/0.36 (3), 0.649 (14)/0.351 (14), 0.52 (2)/0.48 (2), 0.545 (16)/0.455 (16), 0.774 (9)/0.226 (9) and 0.63 (5)/0.37 (5). The crystal structure is stabilized by intermolecular C—H...O and C—H...F interactions.
Synthesis and Characterization of novel 4-[3,5-bis(trifluoromethyl)phenyl]-6-(Substituted phenyl)-1,6-dihydropyrimidine-2-thiol
Tejas Vyas,Kartik Vyas
International Journal For Pharmaceutical Research Scholars , 2012,
Abstract: Synthesis of various dihydropyrimidine-2-thiol from (E)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(substituted)phenylprop-2-en-1-one and thiourea in presence of NaOH. The structures of thesynthesized compounds were confirmed on the basis of spectral and elemental analysis.
Synthesis and Characterization of novel 6-[3,5-bis(trifluoromethyl)phenyl]-4-(substitutedphenyl)-1,4-dihydropyrimidin-2-ol
Tejas Vyas,Kartik Vyas
International Journal For Pharmaceutical Research Scholars , 2012,
Abstract: Synthesis of various pyrimidines 3(a-o) from (E)-1-(3,5-bis(trifluoromethyl)phenyl)-3-(substituted)phenylprop-2-en-1-one and Urea in presence of NaOH. The structures of the synthesized compounds were confirmed on the basis of spectral and elemental analysis. The synthesized compounds were screened for antimicrobial activity.
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-pyridyl)thiourea
Huadong Yue,Yifeng Wang,Aibao Xia,Shuping Luo
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808009768
Abstract: The title compound, C14H9F6N3S, exhibits a nearly planar conformation in the solid state, with a dihedral angle between the planes of the benzene and pyridine rings of 14.86 (3)°. The pyridine N atom allows for the formation of a six-membered N—H...Npy hydrogen-bonded ring, thus forcing the two amide H atoms of the thiourea group to point in opposite directions. The second N—H group forms an intermolecular N—H...S hydrogen bond with the S atom of an adjacent molecule. The F atoms of the two trifluoromethyl groups display rotational disorder around the C—CF3 axis, with an occupancy ratio of 0.54 (1):0.46 (1).
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]-N-methylethylamine–(R)-2-hydroxybutanedioic acid (1/1)
Hai-Bin Zhu,Jun-Feng Ji,Hai Wang
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536808043201
Abstract: In the title compound, C11H11F6N·C4H6O5, a key intermediate in the synthesis of the NK1 receptor antagonist of casopitant, the F atoms of the trifluoromethyl groups are disordered over two sites with equal occupancies. In the crystal, the components are linked by bifurcated N—H...(O,O) hydrogen bonds.
Poly[diaqua[3,5-bis(trifluoromethyl)pyrazolido]potassium]  [cached]
Hien Ngoc Phan,Hans-Wolfram Lerner,Michael Bolte
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810027133
Abstract: The asymmetric unit of the title compound, [K(C5HF6N2)(H2O)2]n, is composed of two 3,5-bis(trifluoromethyl)pyrazolide anions, two potassium cations and four water molecules. The water molecules and 3,5-bis(trifluoromethyl)pyrazolide anions act as bridges between the potassium cations. Each potassium cation is surrounded by four O atoms [K—O = 2.705 (3)–2.767 (3) ] and four F atoms [K—F = 2.870 (7)–3.215 (13) ]. The water molecules and the 3,5-bis(trifluoromethyl)pyrazolide anions are connected by O—H...N hydrogen bonds, forming layers in the ab plane. All –CF3 groups show rotational disorder between two orientations each.
4′-[2-(Trifluoromethyl)phenyl]-2,2′:6′,2′′-terpyridine
Peter Ledwaba,Orde Q. Munro,Kirsty Stewart
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809002384
Abstract: The title compound, C22H14F3N3, is a versatile tridentate N-donor ligand consisting of a terpyridyl (terpy) molecule substituted in the 4′-position by a phenyl group, itself substituted in an ortho-position by a bulky trifluoromethyl group. The phenyl ring is twisted as a result of steric interactions involving the bulky trifluoromethyl substituent. This is reflected in the dihedral angle between the mean plane through the C atoms of the phenyl ring and the terpyridyl unit being 69.2 (1)°. The crystal structure contains no short van der Waals contacts. However, the terpy units stack in a head-to-tail orientation perpendicular to the c axis. The structure is is loosely stabilized by π–π interactions between the terminal pyridine rings of adjacent molecules along the stack. The perpendicular distance between the mean planes through the terpy moieties of adjacent molecules is 3.4 (1) .
1-Phenyl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole  [cached]
K. Jayamoorthy,T. Mohandas,P. Sakthivel,J. Jayabharathi
Acta Crystallographica Section E , 2013, DOI: 10.1107/s1600536813000834
Abstract: In the title molecule, C20H13F3N2, the benzimidazole unit is close to being planar [maximum deviation = 0.012 (1) ] and forms dihedral angles of 31.43 (7) and 61.45 (9)° with the 4-(trifluoromethyl)phenyl and 1-phenyl rings, respectively; the dihedral angle between these rings is 60.94 (10)°. In the crystal, C—H...F hydrogen bonds link the molecules into chains along the c-axis direction. The CF3 group is rotationally disordered with an occupancy ratio of 0.557 (8):0.443 (8) for the F atoms.
1-Phenyl-2-trifluoromethyl-4-quinolone  [cached]
Moayad Hossaini Sadr,Boris I. Usachev,Gao Shan,Seik Weng Ng
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536807062939
Abstract: In the title molecule, C16H10F3NO, the N-bound phenyl ring is oriented nearly orthogonal to the quinolinyl ring in order to avoid steric clashes with the trifluoromethyl substituent [dihedral angle 89.7 (1)°].
6-[5-Chloro-2-(trifluoromethyl)phenyl]-3-fluoro-2-methylpyridine  [PDF]
Karikere Ekanna Manojkumar,Swamy Sreenivasa,Mohan Revanasiddappa Nadigar,Tadimety Harikrishna
Molbank , 2013, DOI: 10.3390/M808
Abstract: Suzuki coupling reaction of 5-fluoro-6-methylpyridin-2-ylboronic acid (1) with 4-chloro-2-iodo-1-(trifluoromethyl)benzene (2) in the presence of dikis and K 2CO 3 produce C-C coupled new title compound 6-(5-chloro-2-(trifluoromethyl)phenyl)-3-fluoro-2-methylpyridine (3). The structure of the newly synthesized compound has been confirmed by IR, 1H-NMR, 13C-NMR, LC-MS and CHN analysis.
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