The title compound, C~26~H~26~N~2~O~7~, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H...O hydrogen bond, several weak C—H...O hydrogen bonds and a π–π stacking interaction.
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid monohydrate
✍ Scribed by Law, Ga-Lai ;Szeto, Lap ;Wong, Wing-Tak
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 489 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.047 Data-to-parameter ratio = 7.7
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The stereochemistry about the lactone ring system of the title compound, C 19 H 16 O 5 , has been established. Intermolecular hydrogen bonds are observed between carboxylic acid groups.
In the title compound, C 10 H 16 O 5 , the carboxylate group at the C-2 position is axial, but that at C-5 is equatorial. These carboxylate groups form hydrogen-bonded rings [average OÁ Á ÁO H distance = 2.64 (1) A Ê ] across the inversion centers at ( 1 2 , 0, 0) and ( 1 2 , 1 2 , 1 2 ), respective
Single-crystal X-ray study T = 293 K Mean (C±C) = 0.003 A Ê Disorder in main residue R factor = 0.043 wR factor = 0.134 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.