Kennedy Alan R, Akkurt Mehmet, Mohamed Shaaban K, Abdelhamid Antar A, Marzouk Adel A E
Department of Pure & Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o769-70. doi: 10.1107/S1600536813010374. Print 2013 May 1.
In the title compound, C19H16BrClO4, both the fused xanthene rings and one of the cyclo-hexane rings adopt envelope conformations, while the other cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming infinite chains running along [10-1] incorporating R 2 (2)(16) ring motifs. In addition, C-H⋯π inter-actions and weak π-π stacking inter-actions [centroid-centroid distance = 3.768 (3) Å] help to consolidate the packing.
在标题化合物C₁₉H₁₆BrClO₄中，稠合的呫吨环和其中一个环己烷环呈信封式构象，而另一个环己烷环呈椅式构象。在晶体中，分子通过C—H⋯O氢键相连，形成沿[10 - 1]方向延伸的无限链，并包含R₂(2)(16)环模式。此外，C—H⋯π相互作用和弱的π - π堆积相互作用[质心 - 质心距离 = 3.768 (3) Å]有助于巩固堆积。
