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Synthesis and X-ray diffraction data of 2-morpholino-2-(3,4,5-trimethoxyphenyl)acetonitrile, (C15H20N2O4)

Published online by Cambridge University Press:  23 May 2016

Jose H. Quintana Mendoza ,
J. A. Henao ,
Aurora L. Carreño Otero  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
Aurora L. Carreño Otero
Affiliation:
Laboratorio de Química Orgánica y Biomolecular (LQOBio), Universidad Industrial de Santander, Parque Tecnológico Guatiguara, Km 2 via refugio, Piedecuesta, Colombia
Vladimir V. Kouznetsov
Affiliation:
Laboratorio de Química Orgánica y Biomolecular (LQOBio), Universidad Industrial de Santander, Parque Tecnológico Guatiguara, Km 2 via refugio, Piedecuesta, Colombia
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

The α-aminonitrile, 2-morpholino-2-(3,4,5-trimethoxyphenyl)acetonitrile (C15H20N2O4), was prepared through a silica sulfuric acid-catalyzed Strecker reaction between 3,4,5-trimethoxybenzaldehyde, morpholine, and two different cyanide sources. Molecular characterization was performed by Fourier transform infrared spectroscopy, gas chromatography–mass spectrometry, (1H, 13C – mono and bidimensional) nuclear magnetic resonance; crystallographic characterization was completed by X-ray powder diffraction of polycrystalline samples. The title compounds crystallized in a monoclinic system and unit-cell parameters are reported [a = 13.904(2), b = 5.1696(6), c = 21.628(3) Å, β = 104.31(1)°, unit-cell volume V = 1506.3(3) Å3, Z = 4]. All measured lines were indexed with the P21/a (No. 14) space group.

Keywords

α-Aminonitrilesgirgensohnine alkaloidX-ray powder diffraction data
Type
New Diffraction Data
Information
Powder Diffraction , Volume 31 , Issue 2 , June 2016 , pp. 149 - 152
Copyright
Copyright © International Centre for Diffraction Data 2016 

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