4,4'-二溴-2,2'-{[(3aS,7aS)-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'-Dibromo-2,2'-{[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-1,3-benzimidazole-1,3-di-yl]bis-(methyl-idene)}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 Apr 1;67(Pt 4):o753. doi: 10.1107/S1600536811006489. Epub 2011 Mar 2.
Abstract
The cyclo-hexane ring in the title compound, C(21)H(24)Br(2)N(2)O(2), adopts a chair conformation and the five-membered ring to which it is fused has a twisted envelope conformation. The asymmetric unit contains one half-mol-ecule, which is related to the other half by a twofold rotation axis. The two N atoms of the five-membered ring are linked to the hy-droxy groups by intra-molecular O-H⋯N hydrogen bonds. In the crystal, inter-molecular C-H⋯O and C-H⋯π inter-actions occur.
摘要
标题化合物C(21)H(24)Br(2)N(2)O(2)中的环己烷环呈椅式构象，与之稠合的五元环具有扭曲的信封式构象。不对称单元包含半个分子，通过二重旋转轴与另一半相关。五元环的两个N原子通过分子内O-H⋯N氢键与羟基相连。在晶体中，存在分子间C-H⋯O和C-H⋯π相互作用。
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