Crystal Structure of 3-(4-Methoxy-benzylidene)-isothiochroman-4-one |
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| Authors: | M Akkurt S Ö Y?ld?r?m A Kerbal B Bennani T Ben Hadda Z H Chohan Vickie McKee |
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| Institution: | 1.Department of Physics,F.A.S., Erciyes University,Kayseri,Turkey;2.Laboratoire de Chimie Organique,Faculté des Sciences Dhar El Mehraz,Fes,Morocco;3.Laboratoire de Chimie des Matériaux,Université Mohammed Premier,Oujda,Morocco;4.Department of Chemistry,Bahauddin Zakariya University,Multan,Pakistan;5.Department of Chemistry,Loughborough University,Leicestershire,UK |
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| Abstract: | Abstract The title compound, 3-(4-methoxy-benzylidene)-isothiochroman-4-one (C17H14O2S) was prepared from the reaction of isothiochroman-4-one with benzaldehyde in the presence of small amount of HCl. The structure
of the synthesised compound was determined by IR, 1H NMR and X-ray crystallography. The structure was solved in monoclinic, space group P21/n with a = 3.9773 (7) Å, b = 10.918 (2) Å, c = 30.609 (6) Å, β = 90.615 (3)°, V = 1329.1 (4) Å3, Z = 4 and with R
int = 0.047. The bicyclic ring of isothiochroman-4-one moiety does not adopt a planar geometry. The molecular conformation is
stable via C10–H···O1 and C16–H···S1 intramolecular hydrogen-bonding interactions. These contacts involve molecules in an
extended two-dimensional sheet to the bc plane. |
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