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5,7-Dihy-droxy-3,6-dimeth-oxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one monohydrate.

ABSTRACT: The title compound, C(18)H(16)O(7)·H(2)O, is a flavonoid isolated from Dodonaea viscosa-. The benzopyran ring system of the flavonoid is essentially planar [maximum deviation = 0.025?(2)?Å] and inclined at 5.83?(2)° to the attached benzene ring. The water of hydration is involved in extensive hydrogen bonding, assembling the mol-ecules into a supra-molecular network via classical inter-molecular O-H?O hydrogen bonding. The crystal structure is further stabilized by ?-? stacking inter-actions [centroid-centroid distance between benzene rings = 3.564?(3)?Å].

SUBMITTER: Mohammad A

PROVIDER: S-EPMC3009314 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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5,7-Dihy-droxy-3,6-dimeth-oxy-2-(4-meth-oxy-phen-yl)-4H-chromen-4-one monohydrate.

Mohammad Akhtar A Anis Itrat I McKee Vickie V McKee Vickie V Frese Josef W A JW Shah Muhammad Raza MR

Acta crystallographica. Section E, Structure reports online 20101002 Pt 11

The title compound, C(18)H(16)O(7)·H(2)O, is a flavonoid isolated from Dodonaea viscosa-. The benzopyran ring system of the flavonoid is essentially planar [maximum deviation = 0.025 (2) Å] and inclined at 5.83 (2)° to the attached benzene ring. The water of hydration is involved in extensive hydrogen bonding, assembling the mol-ecules into a supra-molecular network via classical inter-molecular O-H⋯O hydrogen bonding. The crystal structure is further stabilized by π-π stacking inter-actions [ce ...[more]

PMID: 21588929

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