Single-crystal X-ray study T = 298 K Mean (C-C) = 0.005 A R factor = 0.087 wR factor = 0.168 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.
Methyl 2-(3,5-dichlorophenyl)-5-dimethylamino-3-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1λ6,2,4,6-thiatriazine-3-carboxylate
✍ Scribed by Duggan, Peter J. ;Fallon, Gary D. ;Liepa, Andris J.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 187 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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The title compound, C~27~H~27~N~3~O~2~S, was obtained __via__ a multicomponent reaction using benzaldehyde, ethyl acetoacetate, ammonium acetate and phenyl isothiocyanate. The pyrimidine ring assumes a half-boat conformation. The crystal packing is stabilized by N—H...O and N—H...S hydrogen bonds. T
The title compound, C~26~H~26~N~2~O~7~, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H...O hydrogen bond, several weak C—H...O hydrogen bonds and a π–π stacking interaction.