Single-crystal X-ray study T = 294 K Mean '(C±C) = 0.004 A Ê R factor = 0.066 wR factor = 0.135 Data-to-parameter ratio = 13.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2,3,5,6-Tetrahydroxy-1,4-dinitrocyclohexane dihydrate
✍ Scribed by Gilardi, Richard ;Evans, Robin N.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 202 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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Single-crystal X-ray study T = 93 K Mean '(C±C) = 0.002 A Ê R factor = 0.024 wR factor = 0.063 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 17 H 33 NO 7 , contains two six-membered rings which adopt chair conformations. The molecular packing is governed by intermolecular OÐHÁ Á ÁO hydrogen bonding.
In the title compound, [C~6~H~10~(NH~3~)~2~]^2+^·[B~4~O~5~(OH)~4~]^2−^·2.5H~2~O, the asymmetric unit contains one anion, two half-cations and 2.5 water molecules. Each cation is centrosymmetric. In the crystal structure, the anions are connected to each other __via__ hydrogen bonding, forming a thre
The molecule of the title compound, C 7 H 7 N 2 O 6 , has a mirror plane through three common C atoms of two ®ve-membered rings, which show distorted envelope conformations. The nitroxy group is in a planar con®guration.