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! |
|