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2006•Acta Crystallographica Section C Crystal Structure CommunicationsRequires access

Hydrogen bonding and π–π stacking in 6-hydroxybiochanin A monohydrate

Zun-Ting Zhang, Yan-Chang Wang

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Abstract

In the lattice of the title compound (systematic name: 5,6,7-trihydroxy-4'-methoxyisoflavone monohydrate), C16H12O6.H2O, the isoflavone molecules are linked into chains through R(4)3(17) motifs composed via O-H...O and C-H...O hydrogen bonds. Centrosymmetric R(4)2(14) motifs assemble the chains into sheets. Hydrogen-bonding and aromatic pi-pi stacking interactions lead to the formation of a three-dimensional network structure.

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What this paper is about

In the lattice of the title compound (systematic name: 5,6,7-trihydroxy-4'-methoxyisoflavone monohydrate), C16H12O6.H2O, the isoflavone molecules are linked into chains through R(4)3(17) motifs composed via O-H...O and C-H...O hydrogen bonds. Centrosymmetric R(4)2(14) motifs assemble the chains into sheets. Hydrogen-bonding and aromatic pi-pi stacking interactions lead to the formation of a three-dimensional network structure.

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Available abstract

In the lattice of the title compound (systematic name: 5,6,7-trihydroxy-4'-methoxyisoflavone monohydrate), C16H12O6.H2O, the isoflavone molecules are linked into chains through R(4)3(17) motifs composed via O-H...O and C-H...O hydrogen bonds. Centrosymmetric R(4)2(14) motifs assemble the chains into sheets. Hydrogen-bonding and aromatic pi-pi stacking interactions lead to the formation of a three-dimensional network structure.

Key concepts: Stacking, Hydrogen bond, Crystallography, Chemistry, Materials science, Organic chemistry, Molecule

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