The ester group of the title compound, C~9~H~9~BrO~2~, is only slightly twisted out of the plane of the central aromatic ring. Geometric parameters are in the usual ranges.
Methyl 4-bromobenzoate
✍ Scribed by Bolte, Michael ;Wissler, Jörg
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 166 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The asymmetric molecular conformation of the title compound, C 15 H 17 BrO 4 , may be be influenced by an intramolecular C-HÁ Á ÁO interaction. The molecules formstacks in the crystal structure.
In the title salt, C~10~H~10~N^+^·C~7~H~3~N~2~O~6~ ^−^, in addition to electrostatic interactions, the quinaldinium and 2,4-dinitrobenzoate ions are linked by N—H...O and C—H...O hydrogen bonds into a three-dimensional molecular network. The quinaldinium cations are stacked along the __a__ axis with
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.046 wR factor = 0.145 Data-to-parameter ratio = 16.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 13 H 14 O 7 , is derived from methyl gallate, a protective biological antioxidant. It crystallizes with two independent molecules in the asymmetric unit.