Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.003 A Ê R factor = 0.067 wR factor = 0.165 Data-to-parameter ratio = 12.6 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2-(2′,3′,4′,6′-Tetra-O-acetyl-β-d-glucopyranosylthio)-4-pyridin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
✍ Scribed by Elgemeie, Galal H. ;Hussein, Mona M. ;Jones, Peter G.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 243 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.009 A Ê Disorder in main residue R factor = 0.072 wR factor = 0.216 Data-to-parameter ratio = 18.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the structure of the title compound, C 12 H 17 NO 2 S, the terminal ester group lies in the plane of the thiophene ring system. The cycloheptene ring adopts a half-chair conformation. There are intramolecular N-HÁ Á ÁO and C-HÁ Á ÁO interactions, and intermolecular N-HÁ Á ÁO and C-HÁ Á Á interact
In the pyridone ring of the title compound, C 19 H 20 ClNO 2 , single and double bonds alternate, though allowing some degree of conjugation. One C atom in the cycloheptene ring is disordered over two positions, which form boat and chair conformations of cycloheptene, respectively.