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5,7-Dimeth-oxy-2-(4-methoxy-phen-yl)-4H-1-benzopyran-4-one methanol solvate monohydrate.

ABSTRACT: In the title compound (alternatively called 4',5,7-trimethoxy-flavone methanol solvate hydrate), C(18)H(16)O(5)·CH(3)OH·H(2)O, the flavone mol-ecule is almost planar, the inter-planar angle between the planes of the benzopyran-4-one group and the attached benzene ring being 4.69?(9)°. In the crystal, the flavone mol-ecule makes inter-molecular C-H?O hydrogen bonds to adjacent inversion-related flavone mol-ecules, generating R(2) (2)(8) and R(2) (2)(14) rings and an infinite ribbon. The inversion-related ribbons are stabilized through the inter-stitial water and methanol mol-ecules via inter-molecular O-H?O hydrogen bonds, generating R(4) (2)(8) and R(2) (1)(6) rings and C(2) (2)(4) chains, and are further sustained by ?-? inter-actions with an inter-planar spacing of 3.365?(2)Å.

SUBMITTER: Aree T

PROVIDER: S-EPMC2971445 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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5,7-Dimeth-oxy-2-(4-methoxy-phen-yl)-4H-1-benzopyran-4-one methanol solvate monohydrate.

Aree Thammarat T Sabphon Chalisa C Sawasdee Pattara P

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

In the title compound (alternatively called 4',5,7-trimethoxy-flavone methanol solvate hydrate), C(18)H(16)O(5)·CH(3)OH·H(2)O, the flavone mol-ecule is almost planar, the inter-planar angle between the planes of the benzopyran-4-one group and the attached benzene ring being 4.69 (9)°. In the crystal, the flavone mol-ecule makes inter-molecular C-H⋯O hydrogen bonds to adjacent inversion-related flavone mol-ecules, generating R(2) (2)(8) and R(2) (2)(14) rings and an infinite ribbon. The inversion ...[more]

PMID: 21578297

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3,5,7-Trimeth-oxy-2-(4-methoxy-phen-yl)-4H-1-benzopyran-4-one.

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