6,6′-Di-tert-butyl-4,4′-dimethoxy-2,2′-[1,3-diazinane-1,3-diylbis(methylene)]diphenol 0.19-hydrate

被引:4
作者
Rivera, Augusto [1 ]
Marcela Gonzalez, Derly [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-toparameter ratio = 15.0; Disorder in solvent or counterion; Mean σ(C-C) = 0.001 Å; R factor = 0.035; Single-crystal X-ray study; T = 120 K; wR factor = 0.122;
D O I
10.1107/S1600536811053542
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title hexahydropyrimidine derivative, C28H42N2O4 center dot 0.19H(2)O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic molecule and a solvent water molecule with occupany 0.095. The molecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water molecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71 (3)degrees. Two intramolecular O-H center dot center dot center dot N hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure.
引用
收藏
页码:o191 / o192
页数:11
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