3,3′-Dinitrobisphenol A

被引:3
作者
Babu, Sainath [1 ,2 ]
Pathak, Chintan [1 ,2 ]
Uppu, Satvika [2 ,3 ]
Jones, Conrad [2 ,3 ]
Fronczek, Frank R. [4 ]
Uppu, Rao M. [1 ,2 ,3 ]
机构
[1] Southern Univ, Dept Environm Toxicol, Baton Rouge, LA 70813 USA
[2] A&M Coll, Baton Rouge, LA 70813 USA
[3] Southern Univ, Dept Chem, Baton Rouge, LA 70813 USA
[4] Louisiana State Univ, Dept Chem, Baton Rouge, LA 70803 USA
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
基金
美国国家科学基金会; 美国国家卫生研究院;
关键词
BISPHENOL-A; HORSERADISH-PEROXIDASE; CRYSTAL;
D O I
10.1107/S1600536811035458
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound [systematic name: 2,2'-dinitro-4,4'-(propane-2,2-diyl)diphenol], C15H14N2O6, crystallizes with two molecules in the asymmetric unit. Both have a trans conformation for their OH groups, and in each, the two aromatic rings are nearly orthogonal, with dihedral angles of 88.30 (3) and 89.62 (2)degrees. The nitro groups are nearly in the planes of their attached benzene rings, with C-C-N-O torsion angles in the range 1.21 (17)-4.06 (17)degrees, and they each accept an intramolecular O-H center dot center dot center dot O hydrogen bond from their adjacent OH groups. One of the OH groups also forms a weak intermolecular O-H center dot center dot center dot O hydrogen bond.
引用
收藏
页码:O2556 / U1677
页数:22
相关论文
共 20 条
[1]  
[Anonymous], APEX2 SAINT
[2]  
BELSKY VK, 1983, KRISTALLOGRAFIYA+, V28, P685
[3]   ENCODING AND DECODING HYDROGEN-BOND PATTERNS OF ORGANIC-COMPOUNDS [J].
ETTER, MC .
ACCOUNTS OF CHEMICAL RESEARCH, 1990, 23 (04) :120-126
[4]  
Farrugia L.J., 1997, J. Appl. Crystallogr., V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]
[5]   SEPARATION OF CLOSELY RELATED STRUCTURAL ISOMERS BY INCLUSION COMPLEXATION WITH TAILOR-MADE HOST COMPOUNDS - CRYSTAL-STRUCTURES OF 2,2-DI (PARA-HYDROXYPHENYL)PROPANE AND ITS 1-1 COMPLEX WITH PARA-CRESOL [J].
GOLDBERG, I ;
STEIN, Z ;
TANAKA, K ;
TODA, F .
JOURNAL OF INCLUSION PHENOMENA AND MOLECULAR RECOGNITION IN CHEMISTRY, 1991, 10 (01) :97-107
[6]   Biocatalytic oxidation of bisphenol A in a reverse micelle system using horseradish peroxidase [J].
Hong-Mei, Li ;
Nicell, James A. .
BIORESOURCE TECHNOLOGY, 2008, 99 (10) :4428-4437
[7]   Association of urinary bisphenol A concentration with medical disorders and laboratory abnormalities in adults [J].
Lang, Iain A. ;
Galloway, Tamara S. ;
Scarlett, Alan ;
Henley, William E. ;
Depledge, Michael ;
Wallace, Robert B. ;
Melzer, David .
JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION, 2008, 300 (11) :1303-1310
[8]  
Lim CF, 2007, J CHEM CRYSTALLOGR, V37, P587, DOI 10.1007/S10870-007-9207-8
[9]   Changes in the mutagenic and estrogenic activities of bisphenol A upon treatment with nitrite [J].
Masuda, S ;
Terashima, Y ;
Sano, A ;
Kuruto, R ;
Sugiyama, Y ;
Shimoi, K ;
Tanji, K ;
Yoshioka, H ;
Terao, Y ;
Kinae, N .
MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS, 2005, 585 (1-2) :137-146
[10]  
MURRELL B, 2006, MCNAIR SCHOLARS J, V10