3-tert-Butyl-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 4-chlorobenzoate

被引:0
作者
Wang, Zong-cheng [1 ]
Cheng, Jing-li [2 ]
Zhao, Jin-hao [2 ]
Yu, Feng [3 ]
机构
[1] Hunan Univ Sci & Engn, Dept Biol & Chem, Yongzhou 425100, Hunan, Peoples R China
[2] Zhejiang Univ, Inst Pesticide & Environm Toxicol, Hangzhou 310029, Zhejiang, Peoples R China
[3] Zhejiang Chem Ind Res Inst, Hangzhou 310023, Zhejiang, Peoples R China
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
基金
中国国家自然科学基金;
关键词
data-to-parameter ratio = 19.0; mean σ(C-C) = 0.004 Å; R factor = 0.035; single-crystal X-ray study; T = 296 K; wR factor = 0.095;
D O I
10.1107/S1600536811034684
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title tetronic acid derivative, C20H23ClO4, which is a spirodiclofen analogue, has two crystallographically independent molecules in the asymmetric unit (Z' = 2). The cyclohexane rings in the respective molecules A and B adopt chair conformations [four C atoms are planar with mean deviations of 0.013 (2) and 0.001 (2) angstrom, and the flap positions deviate by 0.653 (4) and -0.663 (3) angstrom (molecule A) and 0.642 (4) and -0.643 (5) angstrom (molecule B) from the plane]. The furan ring makes dihedral angles of 86.9 (1) (molecule A) and 85.4 (1)degrees (molecule B) with the respective benzene rings.
引用
收藏
页码:O2804 / +
页数:13
相关论文
共 11 条
[1]  
Farrugia L.J., 1997, J. Appl. Crystallogr., V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]
[2]  
Farrugia L. J., 1999, Journal of Applied Crystallography, V32, P837, DOI [DOI 10.1107/S0021889812029111, 10.1107/S0021889899006020, DOI 10.1107/S0021889899006020]
[3]  
Fischer R., 1995, Substituted 4-carbamoyl pyrrolidin-2-one and dihydrofuran-2-one derivatives and their use as pesticides, Patent No. [WO 9504719, 9504719]
[4]   ON ENANTIOMORPH-POLARITY ESTIMATION [J].
FLACK, HD .
ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (NOV) :876-881
[5]  
Higashi T., 1995, ABSCOR
[6]  
Larson A.C., 1970, CRYSTALLOGRAPHIC COM, P291
[7]  
Rigaku, 2006, PROCESS AUTO
[8]  
[Rigaku Americas Rigaku], 2007, CRYSTALSTRUCTURE
[9]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[10]   3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl benzoate [J].
Yu, Chuan-ming ;
Wang, Zong-cheng ;
Zhou, Huan ;
Ji, Ming-hua ;
Zhao, Jin-hao .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 :O1624-U1025