Single-crystal X-ray study T = 100 K Mean (C-C) = 0.003 A R factor = 0.048 wR factor = 0.112 Data-to-parameter ratio = 11.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Theophylline–2,4-dihydroxybenzoic acid–water (1/1/1)
✍ Scribed by Wang, Zi-Liang ;Wei, Lin-Heng
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 233 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
In the title compound, 2C 7 H 7 NO 2 ÁC 6 H 5 NO 2 , the 4-aminobenzoic acid and the nicotinic acid molecules are approximately planar. The crystal structure is stabilized by an extensive network of N-HÁ Á ÁO, O-HÁ Á ÁO and O-HÁ Á ÁN hydrogen bonds.
In the title compound, C~6~H~9~N~3~·C~7~H~6~O~3~, the 2-amino-4,6-dimethylpyrimidine and 4-hydroxybenzoic acid molecules link together __via__ N—H...O and O—H...N hydrogen bonds to form an eight-membered __R__ ~2~ ^2^(8) ring. Further hydrogen bonds and C—H...O interactions result in the formation o
Single-crystal X-ray study T = 300 K Mean '(C±C) = 0.004 A Ê R factor = 0.051 wR factor = 0.119 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.