The diketo form of (+)-(1R, 4R)-3-benzoylcamphor

被引：1

作者：

Seo, Jang Woo ^{[1
]}

Niemeyer, Mark ^{[1
]}

机构：

[1] Univ Stuttgart, Inst Anorgan Chem, D-70569 Stuttgart, Germany

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2006年 / 62卷

关键词：

D O I：

10.1107/S1600536806039808

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Molecules of the title compound, (+)-(1R,4R)-3-benzoyl-1,7,7-trimethylbicyclo[ 2.2.1] heptan-2-one, C17H20O2, crystallize in the diketo form. One of the carbonyl groups is involved in a weak intramolecular C-H center dot center dot center dot O interaction [C center dot center dot center dot O = 2.778 (3) angstrom]. 3-Benzoylcamphor is a rare example of a structurally characterized beta-diketone that crystallizes both in the diketo and the enol forms. According to density functional theory (DFT) calculations, the diketo tautomer is destabilized by 17.4 kJ mol(-1) over the previously reported [Niemeyer & Gan (2005). Acta Cryst. E61, o2363-o2365] enol form.

引用

页码：O4850 / O4852

页数：3

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