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

Moriguchi T.; Jalli V.; Krishnamurthy S.; Tsuge A.; Yoza K.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >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

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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

机译：3,4-二甲基2-（叔丁基氨基）-5- [2-氧-4-（硫吗啉-4-基）-2H-铬-3-基]呋喃-3,4-二羧酸乙酯的晶体结构半溶剂化物

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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.

机译：在标题半溶剂合物C25H28N2O7S·0.5C4H8O2中，硫代吗啉环具有椅子构象，且环外NC键位于赤道方向。香豆素环系统（r.m.s.偏差= 0.044Å）和呋喃环之间的二面角为64.84（6）°。分子内NH 3 O氢键封闭S（6）环。乙酸乙酯溶剂分子在晶体学转化中心附近无序。在晶体中，各组分之间通过CHH和CHS的氢键相连，形成三维网络。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第12期|共页
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Moriguchi T.; Jalli V.; Krishnamurthy S.; Tsuge A.; Yoza K.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTURECOUMARINSTHIOMORPHOLINE RINGHYDROGEN BONDING;

机译：晶体结构立方亚甲基硫代磷酸环氢键;

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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

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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