Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

zs2245 scheme

Acta Cryst. (2012). E68, o3438-o3439 [ doi:10.1107/S1600536812047666 ]

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

A. Abou, A. Djandé, G. Danger, A. Saba and R. Kakou-Yao

Abstract: In the title molecule, C₁₇H₁₂O₅, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R₂²(6) dimers joined by a C(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif R₄⁴(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an R₂²(8) ring motif and a C(7) chain via C-HO interactions. In the structure, there are also [pi] - [pi] stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O [pi] interactions [O(ring centroid) distance = 3.357 (3) Å].


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812047666/zs2245sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (5.5 kbytes) [ doi:10.1107/S1600536812047666/zs2245Isup3.cml ] Supplementary material

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search