6-Amino-4-(methylsulfanyl)-2-oxo-1-tolyl-1,2-dihydropyridine-3,5-dicarbonitrile
✍ Scribed by Elgemeie, Galal H. ;Jones, Peter G.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 244 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 173 K Mean '(C±C) = 0.002 A Ê R factor = 0.033 wR factor = 0.089 Data-to-parameter ratio = 12.7
For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.039 wR factor = 0.107 Data-to-parameter ratio = 15.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 11 H 12 N 4 , the diazepine ring exhibits a boat conformation, where the displacements of the C atoms attached to the nitrile groups and the C atom attached to the ethyl group are 0.591 (1), 0.585 (1) and 0.845 (1) A Ê from the base of the boat.
Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.102 Data-to-parameter ratio = 20.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The polysubstituted piperidine enol ring in the title compound, C~29~H~31~NO~3~S, adopts a twisted half-chair conformation. The crystal structure is stabilized by van der Waals and weak C—H...π interactions. An intramolecular O—H...O interaction generates an __S__(6) graph-set motif.