Ferrocene Compounds. XXXI. Structure of 3-Ferrocenylpropanoic Acid |
| |
| Authors: | Mario Cetina Antonija Hergold-Brundi? Ante Nagl Marijana Juki? Vladimir Rapi? |
| |
| Institution: | (1) Faculty of Textile Technology, University of Zagreb, Zagreb, Croatia;(2) Laboratory of General and Inorganic Chemistry, Faculty of Science, University of Zagreb, Zagreb, Croatia;(3) Laboratory of Organic Chemistry, Faculty of Food Technology and Biotechnology, University of Zagreb, Zagreb, Croatia |
| |
| Abstract: | The title compound was prepared by modified procedure and characterized by means of IR, 1H] and 13C] NMR spectroscopy. The structure was also determined by a single-crystal X-ray diffraction (XRD). 3-Ferrocenylpropanoic acid crystallizes as orange prisms in the triclinic space group P
with a = 7.645(1) Å, b = 7.953(1) Å, c = 9.961(1) Å,  = 81.67(1) ,  = 68.43(1),  = 83.76(1), V = 556.3(1) Å3, Z = 2, R = 0.0435. In the ferrocene skeleton, Fe-C distances are in the range 2.033(2)–2.052(2) Å and C
C distances in the range 1.412(5)–1.431(3) Å. The angle defined by ring centers and Fe atom is 177.7(1). The cyclopentadienyl rings are twisted from the eclipsed conformation by 8.3(2) (average value). In the structure was observed strong intermolecular hydrogen bond of 2.670(3) Å forming cyclic dimers of the R2
2 (8) type. |
| |
| Keywords: | ferrocene compounds 3-ferrocenylpropanoic acid single-crystal X-ray analysis |
| 本文献已被 SpringerLink 等数据库收录！ |
|
