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Crystal structure of 4'‐O‐methylalpinumisoflavone at 90K
Author(s) -
KingsfordAdaboh R.,
Ahiano E.,
Dittrich B.,
Okamoto H.,
Kimura M.,
Ishida H.
Publication year - 2006
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.200510656
Subject(s) - ring (chemistry) , intramolecular force , chemistry , moiety , crystallography , molecule , crystal structure , stereochemistry , crystal (programming language) , computer science , programming language , organic chemistry
4′‐O‐Methylalpinumisoflavone crystals which hitherto had been difficult to crystallize for X‐ray diffraction analyses have been obtained from a demethylated product of O, O‐dimethylalpinumisoflavone. The structural and conformational features of the crystal measured at 90 K are reported and compared with previously reported work of O,O‐dimethylalpinumisoflavone and 5‐O‐methyl‐4′‐O‐(3‐methyl‐but‐2‐en‐1‐yl) alpinumisoflavone. Each of these compounds is characterized by a six membered ring that is further fused to a benzopyrone isoflavone moiety resulting in a tricyclic ring system. This six membered ring shows a half‐chair conformation in all the molecules studied, with the ring in the title compound showing the least Cremer‐Pople puckering amplitude Q and shorter inter and intramolecular contacts. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)