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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