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

Acta Crystallographica Section E: Crystallographic Communications

Jalli, V.¹  Moriguchi, T.¹  Krishnamurthy, S.¹  Tsuge, A.¹  Yoza, K.² 

[1] Department of Applied Chemistry, Graduate School of Engineering, Kyushu Institute of Technology, 1-1 Sensui-cho, Tobata-ku, Kitakyushu 804-8550, Japan;Japan Bruker AXS K.K.3-9, Moriya-cho Kanagawaku Yokohama 221-0022, Japan

关键词: CRYSTAL STRUCTURE;    COUMARINS;    THIOMORPHOLINE RING;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015021970

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

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