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Crystal structure determination from powder diffraction data of the coumarin vanillin chalcone

Published online by Cambridge University Press:  13 August 2014

Afef Ghouili ,
Jan Rohlicek ,
Taïcir Ben Ayed  and
Rached Ben Hassen
Afef Ghouili
Affiliation:
Unité de Recherche de Chimie des Matériaux et de l'Environnement, UR11ES25, ISSBAT, Université de Tunis El Manar, 9, Avenue Dr. Zoheir SAFI, 1006 Tunis, Tunisia
Jan Rohlicek*
Affiliation:
Institute of Physics ASCR, v. v. i., Na Slovance 2, 182 21 Praha, Czech Republic
Taïcir Ben Ayed
Affiliation:
Unité de Recherche de Chimie des Matériaux et de l'Environnement, UR11ES25, ISSBAT, Université de Tunis El Manar, 9, Avenue Dr. Zoheir SAFI, 1006 Tunis, Tunisia
Rached Ben Hassen
Affiliation:
Unité de Recherche de Chimie des Matériaux et de l'Environnement, UR11ES25, ISSBAT, Université de Tunis El Manar, 9, Avenue Dr. Zoheir SAFI, 1006 Tunis, Tunisia
*
a)Author to whom correspondence should be addressed. Electronic mail: rohlicek@fzu.cz
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Abstract

4-hydroxy-3-methoxyphenyl-4-hydroxycoumarin chalcone (C19H14O6) was synthesized by the Claisen–Schmidt reaction with the condensation of 3-acetyl-4-hydroxycoumarin with 4-hydroxy-3-methoxybenzaldehyde (vanillin). The new compound was characterized by Fourier transform infrared microscopy, UV–vis 1H, and 13C NMR spectroscopy and its crystal structure was ab initio determined from laboratory X-ray powder diffraction data. The crystal structure is monoclinic with unit-cell parameters a = 14.3181(4), b = 8.040 71(9), c = 13.5524(3), β = 100.3559(13)°, V = 1534.84(6) Å3, and space group P21/c.

Keywords

chalconeabsorption spectrapowder diffractioncrystal structure determinationcoumarin derivatives
Type
Technical Articles
Information
Powder Diffraction , Volume 29 , Issue 4 , December 2014 , pp. 361 - 365
Copyright
Copyright © International Centre for Diffraction Data 2014 

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