In the title molecule, C 18 H 18 O 5 , the cyclohexene ring adopts an envelope conformation. The dihedral angle between the two furan rings is 65.9 (1) . In the crystal structure, the carboxyl groups of inversion-related moleules are involved in the formation of dimers through OÐHÁ Á ÁO hydrogen bon
2-(2-Furylmethyl)-1-methyl-3-oxocyclohexanecarboxylic acid
✍ Scribed by Ray, Jayanta Kumar ;Kanti Mal, Sajal ;Canle, L. M. ;Santaballa, J. A. ;Mahía, Jose
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 242 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.002 A Ê R factor = 0.039 wR factor = 0.113 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Molecules of the title compound, C 9 H 15 NO 3 , form a twodimensional hydrogen-bonded network, via O-HÁ Á ÁO and N-HÁ Á ÁO interactions, which runs parallel to the bc plane. In this structure, neither the carboxylic acid groups nor the carbamoyl groups are involved in dimer formations.
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.046 wR factor = 0.118 Data-to-parameter ratio = 8.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the crystal structure of the title compound, C~6~H~12~N~4~·C~8~H~14~O~2~, neutral molecules of urotropine and 2,2,3,3-tetramethylcyclopropanecarboxylic acid are linked together by an O—H...N hydrogen bond.
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.