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3-Methyl-benzo[1,2-c:5,4-c']dichromen-6(8H)-one.

ABSTRACT: The title compound, C21H14O3, crystallizes with eight independent mol-ecules (A-H) in the asymmetric unit which are arranged in four groups of two mol-ecules each (AB, CD, EF and GH). In each mol-ecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017?Å), while the pyran ring has a screw-boat conformation. In the crystal, mol-ecules stack in two columns, along the [10-1] direction, composed of mol-ecules C, B, E and G, and D, A, F and H. Mol-ecules A and F are linked via C-H?O hydrogen bonds. In addition, there are a number of C-H?? contacts present involving all of the mol-ecules. These inter-actions result in the formation of a three-dimensional network.

SUBMITTER: Kayalvizhi M

PROVIDER: S-EPMC4158523 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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3-Methyl-benzo[1,2-c:5,4-c']dichromen-6(8H)-one.

Kayalvizhi M M Vasuki G G Khatri Adil I AI Samant Shriniwas D SD

Acta crystallographica. Section E, Structure reports online 20140702 Pt 8

The title compound, C21H14O3, crystallizes with eight independent mol-ecules (A-H) in the asymmetric unit which are arranged in four groups of two mol-ecules each (AB, CD, EF and GH). In each mol-ecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, mol-ecules stack in two columns, along the [10-1] direction, composed of mol-ecules C, B, E and G, and D, A, F and H. Mol-ecules A and F are linked vi ...[more]

PMID: 25249891

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