Crystal structure and absolute configuration of (3aS, 4S, 5R, 7aR)-2,2,7-trimethyl-3a, 4,5,7a-tetrahydro- 1,3-benzodioxole-4,5-diol

被引：4

作者：

Macias, Mario A. ^{[1
,2
]}

Suescun, Leopoldo ^{[1
]}

Pandolfi, Enrique ^{[3
]}

Schapiro, Valeria ^{[3
]}

Tibhe, Gaurao D. ^{[3
]}

Mombru, Alvaro W. ^{[1
]}

机构：

[1] Univ Rupubl, Fac Quim, Cryssmat Lab, Catedra Fis,DETEMA, Montevideo, Uruguay

[2] Univ Ind Santander, Grp INTERFASE, Carrera 27,Calle 9,Ciudad Univ, Bucaramanga, Colombia

[3] Univ Republica, Fac Quim, Dept Quim Organ, Montevideo, Uruguay

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

关键词：

crystal structure; epoxycyclo-hexenones; absolute configuration; chiral crystal; chemoenzymatic strategy;

D O I：

10.1107/S2056989015014590

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The absolute configuration of the title compound, C10H16O4, determined as 3aS, 4S, 5R, 7aR on the basis of the synthetic pathway, was confirmed by X-ray diffraction. The molecule contains a five-and a six-membered ring that adopt twisted and envelope conformations, respectively. The dihedral angle between the mean planes of the rings is 76.80 (11) degrees as a result of their cis-fusion. In the crystal, molecules are linked by two pairs of O-H center dot center dot center dot O hydrogen bonds, forming chains along [010]. These chains are further connected by weaker CH center dot center dot center dot O interactions along [100], creating (001) sheets that interact only by weak van der Waals forces.

引用

页码：1013 / +

页数：8

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