Journal Title
Title of Journal: Struct Chem
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Abbravation: Structural Chemistry
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Authors: Jerry Joe Ebow Kingsley Harrison Youhei Tabuchi Hiroyuki Ishida Robert KingsfordAdaboh
Publish Date: 2009/01/21
Volume: 20, Issue: 2, Pages: 203-211
Abstract
Single crystals of alpinumisoflavone C20H16O5 systematic name 5hydroxy74 hydroxyphenyl2 2dimethyl2H 6Hbenzo 1 2b 5 4b′dipyran6one solvated with water methanol and ethanol have been obtained The incorporation of the solvent molecules into the crystal structure creates a new short intermolecular O–H···O and C–H···O contacts between the alpinumisoflavone moiety and its solvate molecule The temperatures at which the solvated molecules lose their solvent molecules are 53 54 and 65 °C for water methanol and ethanol respectively The observed temperatures at which the solvates efflorescence are reflective of the progressive increase in mass of the solvates from water to ethanol in the series The benzopyrone moiety shows the usual planar conformation with the pyran ring deformed into a halfchair conformer as seen previously in the other analogous compounds with puckering parameters Å 026568 037038 and 039579 respectively for the water ethanol and methanol solvates These are higher than the nonsolvated alpinumisoflavone compound previously studied The size of a substituent group proximal to the keto group has a more pronounced effect on the degree of puckering than substitution on the terminal phenyl ring The attached phenyl ring shows consistent outofplane twist from the mean plane of the benzopyrone system as observed previously for this class of compounds The observed dihedral angles are 30263 37753 and 34003° respectively for the water methanol and ethanol solvates
Keywords:
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