Crystal structure determination from powder diffraction data of the coumarin vanillin chalcone. Issue 4 (13th August 2014)

• Record Type: Journal Article
• Authors: Ghouili, Afef; Rohlicek, Jan; Ayed, Taïcir Ben; Hassen, Rached Ben
• Is Part Of: Powder diffraction. Volume 29:Issue 4(2014)
• Page Start: 361
• Page End: 365
• Publication Date: 2014-08-13
• Subjects: Powder metallurgy -- Periodicals; Materials -- Analysis -- Periodicals; 620.1127
• DOI: 10.1017/S0885715614000669
• Languages: English
• ISSNs: 0885-7156

Abstract

<abstract abstract-type="normal"> <title> <x content-type="archive" xml:space="preserve">Abstract</x> </title> <p>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 <italic>ab initio</italic> determined from laboratory X-ray powder diffraction data. The crystal structure is monoclinic with unit-cell parameters <italic>a</italic> = 14.3181(4), <italic>b</italic> = 8.040 71(9), <italic>c</italic> = 13.5524(3), <italic>β</italic> = 100.3559(13)°, <italic>V</italic> = 1534.84(6) ų, and space group <italic>P</italic>2₁/<italic>c</italic>.</p> </abstract>