NDLI: Syntheses and crystal structures of cobalt(II) and zinc(II) complexes with 4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate

Content Provider	Springer Nature Link
Author	Wang, Yan Chang Zhang, Zun Ting Chang, Yong
Copyright Year	2007
Abstract	Sodium 4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate (1) is synthesized by the sulfonation of 6-hydroxybiochanin A and its structure is characterized by elemental analysis, $^{1}$H-NMR, and IR spectroscopy. It is assembled with cobalt(II) or zinc(II), hexaquacobalt(II) bis(4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate) tetrahydrate (2) and hexaquazinc(II) bis(4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate) tetrahydrate (3) are obtained and characterized by IR spectroscopy. Simultaneously, their three-dimensional structures are determined by single-crystal X-ray analysis. It turns out that 2 and 3 are isomorphous and crystallize in the triclinic crystal system, space group P-1. Hydrophilic regions are defined by O–H···O hydrogen bonds involving the coordinated water molecules, the included water molecules, and sulfonate groups. Aromatic π...π stacking interactions assemble the isoflavone skeletons into columns and these columns formed hydrophobic regions. The sulfonate group is an important bridge as a structural link between the hydrophilic regions and the hydrophobic regions. Hydrogen bonds, π...π stacking interactions and the electrostatic interactions assemble 2 and 3 into three-dimensional network structures.Sodium 4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate (1) is synthesized and assembled with cobalt(II) or zinc(II). Hexaquacobalt(II) bis(4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate) tetrahydrate (2) and hexaquazinc(II) bis(4′-methoxy-5,6,7-trihydroxyisoflavone-3′-sulfonate) tetrahydrate (3) are obtained and determined by single-crystal X-ray analysis. It turns out that 2 and 3 are isomorphous and assembled into three-dimensional network structures, characterized by hydrophilic regions defined by hydrogen bonds involving the coordinated water molecules, the included water molecules, and the sulfonate groups and by hydrophobic columns, formed by the isoflavone skeletons, interacting through π...π stacking interactions.
Starting Page	951
Ending Page	957
Page Count	7
File Format	PDF
ISSN	10400400
Journal	Structural Chemistry
Volume Number	18
Issue Number	6
e-ISSN	15729001
Language	English
Publisher	Springer US
Publisher Date	2007-08-03
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	6-Hydroxybiochanin A sulfonates Crystal structure Hydrogen bonding π...π Stacking Theoretical and Computational Chemistry Physical Chemistry Computer Applications in Chemistry
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry Condensed Matter Physics

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