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Crystal structure of a new chalcone compound prepared from khellinone
Author(s) -
Ahmed Farag I. S.,
Abd elhafez O. M.,
Rybakov V. B.
Publication year - 1990
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170251209
Subject(s) - diffractometer , chalcone , monoclinic crystal system , crystal structure , crystallography , benzofuran , chemistry , crystal (programming language) , stereochemistry , computer science , programming language
Claisen‐Schmidt condensation of Khellinone (4,7‐dimethoxy‐5‐acetyl‐6‐hydroxy)benzofuran with 2 thiophenalyde led to synthesis of the new biologically active 4,7‐dimethoxy‐5[γ(2‐thiophene)‐ß‐propene‐α‐one]‐6‐hydroxy‐benzofuran. The crystal structure of this new chalcone was confirmed using X‐ray structure analysis. The structure data obtained for a single crystal of the new chalcone are: Monoclinic, a = 8.845(3), b = 7.813(3), c = 22.146(8) Å; β = 96.51(2)°, V = 1520.6 Å 3 , Z = 4; D x = 1.44 g · cm −3 , space group P2 1 /c, R = 0.067, R w = 0.069. The intensity data were collected on an Enraf Nonius CAD‐4 computer controlled diffractometer using MoKα radiation. The structure was solved by the direct method and refined by full matrix least squares using anisotropic temperature factors of all atoms, except for hydrogen atoms, which were treated isotropically.