Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol

被引：0
作者：
McAdam, C. John [1 ]
Simpson, Jim [1 ]
机构：
[1] Univ Otago, Dept Chem, POB 56, Dunedin, New Zealand
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2022年 / 78卷
关键词：
crystal structure; ferrocene; undecane-1; 11-diol; hydrogen bonds; C-H center dot center dot center dot pi contact; Hirshfeld surface analysis;
D O I：
10.1107/S205698902101358X
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The racemic title compound, [Fe(C5H5)(C16H27O2)], comprises an alpha,omega-diol-substituted undecyl chain with a ferrocenyl substituent at at one terminus. The alkane chain is inclined to the substituted ring of the ferrocene grouping by 84.22 (13)degrees. The ferrocene rings are almost eclipsed and parallel. The crystal structure features O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds and C-H center dot center dot center dot pi contacts that stack the molecules along the c-axis direction. A Hirshfeld surface analysis reveals that H center dot center dot center dot H interactions (83.2%) dominate the surface contacts.
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页码：149 / +
页数：11
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