2,2′-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)

被引:1
作者
Rivera, Augusto [1 ]
Trujillo, Ginna Paola [1 ]
Rios-Motta, Jaime [1 ]
Fejfarova, Karla [2 ]
Dusek, Michal [2 ]
机构
[1] Univ Nacl Colombia, Dept Quim, Bogota, Colombia
[2] Inst Phys ASCR, Vvi, Prague 18221 8, Czech Republic
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2012年 / 68卷
关键词
data-to-parameter ratio = 14.3; mean σ(C-C) = 0.004 Å; R factor = 0.023; single-crystal X-ray study; T = 120 K; wR factor = 0.056;
D O I
10.1107/S1600536812001985
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C18H20Br2N2O2, the heterocyclic ring adopts a chair conformation. The benzene rings make dihedral angles of 86.84 (10) and 60.73 (10)degrees with the mean plane of the heterocyclic ring. The dihedral angle between the two benzene rings is 79.77 (10)degrees. The molecular structure is stabilized by two intramolecular hydrogen bonds between the phenolic hydroxy groups and N atoms with graph-set motif S(6). The crystal structure is stabilized by weak C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O498 / U1493
页数:9
相关论文
共 11 条
[1]  
Agilent, 2010, CRYSALIS PRO
[2]   TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].
ALLEN, FH ;
KENNARD, O ;
WATSON, DG ;
BRAMMER, L ;
ORPEN, AG ;
TAYLOR, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19
[3]   PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].
BERNSTEIN, J ;
DAVIS, RE ;
SHIMONI, L ;
CHANG, NL .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573
[4]  
Brandenburg K., 2005, DIAMOND
[5]  
Burla M. C., 2003, Journal of Applied Crystallography, V36, DOI 10.1107/S0021889803012585
[6]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[7]   ON ENANTIOMORPH-POLARITY ESTIMATION [J].
FLACK, HD .
ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (NOV) :876-881
[8]  
Petricek V., 2006, JANA2006
[9]   6,6′-Di-tert-butyl-4,4′-dimethoxy-2,2′-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate [J].
Rivera, Augusto ;
Marcela Gonzalez, Derly ;
Rios-Motta, Jaime ;
Fejfarova, Karla ;
Dusek, Michal .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2012, 68 :o191-o192
[10]   4,4′-Dibromo-2,2′-{[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl]bis(methylidene)}diphenol [J].
Rivera, Augusto ;
Quiroga, Diego ;
Rios-Motta, Jaime ;
Dusek, Michal ;
Fejfarova, Karla .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 :O753-U1242