4,4'-二氟-2,2'-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-八氢-1H-1,3-苯并咪唑-1,3-二亚基]双(亚甲基)}二苯酚
4,4'-Difluoro-2,2'-{[(3aRS,7aRS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methyl-ene)]}diphenol.
作者信息
Rivera Augusto, Quiroga Diego, Ríos-Motta Jaime, Dušek Michal, Fejfarová Karla
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1542. doi: 10.1107/S1600536811019763. Epub 2011 May 28.
Abstract
In the crystal structure of the title compound, C(21)H(24)F(2)N(2)O(2), the two N atoms of the imidazolidine moiety are linked to the hy-droxy groups by intra-molecular O-H⋯N hydrogen-bonding inter-actions. The crystal studied was a racemic mixture of RR and SS enatiomers. The cyclo-hexane ring adopts a chair conformation and the imidazolidine group to which it is fused has a twisted envelope conformation.
摘要
在标题化合物C(21)H(24)F(2)N(2)O(2)的晶体结构中，咪唑烷部分的两个N原子通过分子内O-H⋯N氢键相互作用与羟基相连。所研究的晶体是RR和SS对映体的外消旋混合物。环己烷环呈椅式构象与其稠合的咪唑烷基团具有扭曲的信封式构象。
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