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Ethyl 5-ethoxy­methyl­ene-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetra­hydro­pyridine-3-carboxyl­ate

✍ Scribed by Novoa de Armas, Héctor ;Peeters, Oswald M. ;Blaton, Norbert M. ;De Ranter, Camiel J. ;Suárez Navarro, Margarita ;Verdecia Reyes, Yamila ;Ochoa Rodríguez, Estael ;Salfrán, Esperanza

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
205 KB
Volume
59
Category
Article
ISSN
1600-5368

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✦ Synopsis

In the title compound, C 18 H 21 NO 4 , the molecules form dimers by means of a pair of NÐHÁ Á ÁO hydrogen bonds. The 2(1H)pyridone ring displays a screw±boat conformation.

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Single-crystal X-ray study T = 293 K Mean (C±C) = 0.003 A Ê Disorder in main residue R factor = 0.043 wR factor = 0.134 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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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

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.045 wR factor = 0.140 Data-to-parameter ratio = 13.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.