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3-(4-Acetoxy-phen-yl)-4-oxo-4H-1-benzopyran-5,7-diyl diacetate.

ABSTRACT: In the title mol-ecule, C(21)H(16)O(8), the dihedral angle between the ring systems is 58.5?(1)°. In the crystal, C-H?O inter-actions help to establish the packing.

SUBMITTER: Li HQ

PROVIDER: S-EPMC2971439 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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3-(4-Acetoxy-phen-yl)-4-oxo-4H-1-benzopyran-5,7-diyl diacetate.

Li Huan-Qiu HQ Luo Yin Y Li Dong-Dong DD Zhu Hai-Liang HL

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

In the title mol-ecule, C(21)H(16)O(8), the dihedral angle between the ring systems is 58.5 (1)°. In the crystal, C-H⋯O inter-actions help to establish the packing. ...[more]

PMID: 21578453

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Dimethyl 2,2'-[(4-oxo-2-phenyl-4H-chromene-5,7-diyl)dioxy]diacetate: a more densely packed polymorph.

Project description:The title mol-ecule, C(21)H(18)O(8), crystallizes in two crystal polymorphs, see also Nallasivam, Nethaji, Vembu & Jaswant [Acta Cryst. (2009), E65, o314-o315]. The mol-ecules of both polymorphs differ by the conformation of the oxomethyl-acetate groups. The title mol-ecules are rather planar compared to the mol-ecules of the other polymorph. In the title mol-ecule, one of the oxomethyl-acetate groups is disordered (occupancies of 0.6058/0.3942). The structures of both polymorphs are stabilized by C-H?O and C-H?? inter-actions. Due to the planarity of the title mol-ecules and similar inter-molecular inter-actions, the title mol-ecules are more densely packed than those of the other polymorph.

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Hexaaqua-(5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr-oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate.

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