Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.031 wR factor = 0.110 Data-to-parameter ratio = 9.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Indole-3-carboxylic acid
✍ Scribed by Smith, Graham ;Wermuth, Urs D. ;Healy, Peter C.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 132 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.046 wR factor = 0.131 Data-to-parameter ratio = 12.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Both carboxyl groups in the title molecule, C 9 H 12 O 4 , have gauche orientations [relative to the (HOOCÐ)CÐC(Ð COOH) bond] and participate in hydrogen bonds, linking the molecules into an in®nite chain. ## Experimental Hydrogen was introduced to a stirred mixture of (II) (0.65 g, 4 mmol), pall
The structure of the title compound, C 9 H 12 O 4 , contains two independent molecules in the asymmetric unit, with an unusually strong twist around the norbornane C2ÐC3 bond.