Tetrahydro-2,6,6-trimethyl-1,4-pyran-2,5-dicarboxylic acid (cineolic acid)
✍ Scribed by Barnes, John C. ;Weakley, Timothy J. R.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 208 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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 ), respectively, linking the molecules into stepped chains along the bc diagonal of the cell.
📜 SIMILAR VOLUMES
In the title complex, 2C 9 H 10 O 4 ÁC 8 H 12 N 2 , there is an inversion centre at the centre of the 2,3,5,6-tetramethylpyrazine molecule, which is linked to two endo-norbornene-cis-5,6-dicarboxylic acid molecules via O-HÁ Á ÁN hydrogen bonds. In the crystal structure, O-HÁ Á ÁO and O-HÁ Á ÁN hydro
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.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.006 A Ê R factor = 0.055 wR factor = 0.167 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.