5-Chloro-6-hydroxy-7,8-dimethylchroman-2-one

被引:3
|
作者
Cameron, Scott A. [1 ]
Goswami, Shailesh K. [1 ]
Hanton, Lyall R. [1 ]
McAdam, C. John [1 ]
Moratti, Stephen C. [1 ]
Simpson, Jim [1 ]
机构
[1] Univ Otago, Dept Chem, Dunedin, New Zealand
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
关键词
data-to-parameter ratio = 14.4; mean σ(CC) = 0.005 Å; R factor = 0.050; single-crystal X-ray study; T = 89 K; wR factor = 0.143;
D O I
10.1107/S1600536811029345
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C11H11ClO3, the fused pyran ring adopts a half-chair conformation. In the crystal, intermolecular O-H center dot center dot center dot O hydrogen bonds link molecules into chains along [100]. These chains are interconnected by weak intermolecular C-H center dot center dot center dot O contacts which generate R-2(2)(8) ring motifs, forming sheets parallel to (001). Tetragonal symmetry generates an equivalent motif along b. Furthermore, the sheets are linked along the c axis by offset pi-pi stacking interactions involving the benzene rings of adjacent molecules [with centroidcentroid distances of 3.839 (2) angstrom], together with an additional weak C-H center dot center dot center dot O hydrogen bond, resulting in an overall three-dimensional network.
引用
收藏
页码:O2141 / U1476
页数:13
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