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X-ray diffraction data of 4-phenyl-6-(trifluoromethyl)-3,4-dihydroquinolin-2(1H)-one and its synthetic precursor N-[4-(trifluoromethyl)phenyl]cinnamamide

Published online by Cambridge University Press:  10 June 2016

Jose H. Quintana Mendoza ,
J. A. Henao ,
Carlos E. Rondón Flórez ,
Carlos E. Puerto Galvis  and
Vladimir V. Kouznetsov
Jose H. Quintana Mendoza
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9 Ciudadela Universitaria, Bucaramanga, Colombia
J. A. Henao*
Affiliation:
Grupo de Investigación en Química Estructural (GIQUE), Escuela de Química, Facultad de Ciencias, Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9 Ciudadela Universitaria, Bucaramanga, Colombia
Carlos E. Rondón Flórez
Affiliation:
Laboratorio de Química Orgánica y Biomolecular (LQOBio), Universidad Industrial de Santander, Parque Tecnológico Guatiguará, Km 2 vía refugio, Piedecuesta, A.A. 678, Bucaramanga, Colombia
Carlos E. Puerto Galvis
Affiliation:
Laboratorio de Química Orgánica y Biomolecular (LQOBio), Universidad Industrial de Santander, Parque Tecnológico Guatiguará, Km 2 vía refugio, Piedecuesta, A.A. 678, Bucaramanga, Colombia
Vladimir V. Kouznetsov
Affiliation:
Laboratorio de Química Orgánica y Biomolecular (LQOBio), Universidad Industrial de Santander, Parque Tecnológico Guatiguará, Km 2 vía refugio, Piedecuesta, A.A. 678, Bucaramanga, Colombia
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

The title compound, the 4-phenyl-6-(trifluoromethyl)-3,4-dihydroquinolin-2(1H)-one (4) with chemical formula: (C16H12F3NO), was synthesized from N-[4-(trifluoromethyl)phenyl]cinnamamide (3), chemical formula: (C16H12F3NO), through an intramolecular cyclization mediated by triflic acid. Preliminary molecular characterization of both compounds was performed by Fourier transform infrared spectroscopy, gas chromatography mass spectrometry, and nuclear magnetic resonance spectroscopy (1H, 13C); crystallographic characterization was completed by X-ray diffraction of polycrystalline samples. The title compound 4 crystallized in a monoclinic system and unit-cell parameters are reported [a = 16.002 (3), b = 5.170 (1), c = 17.733 (3) Å, β = 111.11 (2)°, unit-cell volume V = 1368.5 (3) Å3, Z = 4] P21/c (No. 14) space group; the title compound 3 crystallized in a monoclinic system and unit-cell parameters are reported [a = 12.902 (2), b = 5.144 (1), c = 20.513 (5) Å, β = 91.67 (2)°, unit-cell volume V = 1360.7 (4) Å3, Z = 4] P21/c (No. 14) space group.

Keywords

cinnamamides2-quinolinonesintramolecular cyclizationX-ray powder diffraction data
Type
New Diffraction Data
Information
Powder Diffraction , Volume 31 , Issue 3 , September 2016 , pp. 233 - 239
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Copyright
Copyright © International Centre for Diffraction Data 2016 

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