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Crystal structure of 3,4-dimethyl 2-(tert-butyl­amino)-5-[2-oxo-4-(thio­morpholin-4-yl)-2H-chromen-3-yl]furan-3,4-di­carboxyl­ate ethyl acetate hemisolvate

In the title hemisolvate, C(25)H(28)N(2)O(7)S·0.5C(4)H(8)O(2), the thio­morpholine ring adopts a chair conformation, with the exocyclic N—C bond in an equatorial orientation. The dihedral angle between the coumarin ring system (r.m.s. deviation = 0.044 Å) and the furan ring is 64.84 (6)°. An intra­m...

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Detalles Bibliográficos
Autores principales: Moriguchi, Tetsuji, Jalli, Venkataprasad, Krishnamurthy, Suvratha, Tsuge, Akihiko, Yoza, Kenji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719946/
https://www.ncbi.nlm.nih.gov/pubmed/26870465
http://dx.doi.org/10.1107/S2056989015021970
Descripción
Sumario:In the title hemisolvate, C(25)H(28)N(2)O(7)S·0.5C(4)H(8)O(2), the thio­morpholine ring adopts a chair conformation, with the exocyclic N—C bond in an equatorial orientation. The dihedral angle between the coumarin ring system (r.m.s. deviation = 0.044 Å) and the furan ring is 64.84 (6)°. An intra­molecular N—H⋯O hydrogen bond closes an S(6) ring. The ethyl acetate solvent mol­ecule is disordered about a crystallographic inversion centre. In the crystal, the components are linked by C—H⋯O and C—H⋯S hydrogen bonds, generating a three-dimensional network.