3-Carboxyanilinium 3-carboxy-4-hydroxybenzenesulfonate: the 1:1 proton-transfer compound of 5-sulfosalicylic acid with 3-aminobenzoic acid
✍ Scribed by Smith, Graham
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 204 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.002 A Ê R factor = 0.040 wR factor = 0.117 Data-to-parameter ratio = 13.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound (systematic name: 2,3-dimethoxy-10oxostrychnidinium 2-carboxy-6-nitrophthalate dihydrate), C 23 H 27 N 2 O 4 + ÁC 8 H 4 NO 6 À Á2H 2 O, the carboxylic acid and carboxylate groups of the hydrogenphthalate anions form head-to-tail catemeric chains of strong intermolecular O-HÁ Á
The asymmetric unit of the title compound, C 9 H 8 NO + ÁC 6 H 3 -N 2 O 4 À Á2H 2 O, contains two independent cations, two anions and four water molecules of solvation. A three-dimensional framework structure is formed through extensive hydrogenbonding involving most donor and acceptor species. Sign
## Abstract The 1__H__‐pyrazole‐3‐carboxylic acid **2**, obtained from the furan‐2,3‐dione **1** and __N__‐Benzylidene‐__N__'‐(3‐nitrophenyl) hydrazine, was converted via reactions of its acid chloride **3** with various alcohols or N‐nucleo‐philes into the corresponding ester or amide derivatives