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

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, C25H28N2O7S·0.5C4H8O2, 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...

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Bibliographic Details
Main Authors: Tetsuji Moriguchi, Venkataprasad Jalli, Suvratha Krishnamurthy, Akihiko Tsuge, Kenji Yoza
Format: Article
Language:English
Published: International Union of Crystallography 2015-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
coumarins
thiomorpholine ring
hydrogen bonding
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015021970
Description
Summary:In the title hemisolvate, C25H28N2O7S·0.5C4H8O2, 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.
ISSN:2056-9890

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