Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.006 A Ê R factor = 0.060 wR factor = 0.156 Data-to-parameter ratio = 7.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
(±)-4,6-Dimethoxy-3-(trichloromethyl)isobenzofuran-1(3H)-one
✍ Scribed by Saeed, Aamer ;Flörke, Ulrich
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 340 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The structure of the title compound, C~11~H~9~Cl~3~O~4~, shows two crystallographically independent but geometrically essentially identical molecules per asymmetric unit. The methoxy groups lie in the plane of the aromatic system, the relevant C—O—C—C and C—O—C—C torsion angles being −173.7 (2) and 3.1 (3)°, and 174.7 (1) and 3.2 (3)° for the two molecules. Molecules are packed in sheets parallel to the (100) plane, with various intermolecular C—H...O and C—H...Cl contacts.
📜 SIMILAR VOLUMES
The crystal structure of the title compound, C 18 H 19 NO 2 , is stabilized by intermolecular N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds and also C-HÁ Á Á interactions. These hydrogen-bond interactions generate edge-fused (8) ring motifs. The phthalide group is planar and oriented at a dihedral angle o