Intermolecular O—H⃛O and C—H⃛π(C5H5), and intramolecular C—H⃛O interactions in 2‐(ferrocenyl)thiophene‐3‐carboxylic acid

Autor: Gallagher, John F., Hudson, Richard D. A., Manning, A. R.
Zdroj: Acta Crystallographica Section C: Crystal Structure Communications; January 2001, Vol. 57 Issue: 1 p28-30, 3p
Abstrakt: The title compound, [Fe(C5H5)(C10H7O2S)], an important precursor en routeto organometallic donor–π–acceptor systems, forms dimers in the solid state through cyclic intermolecular carboxyl­ic acid O—H⃛O hydrogen bonds, graph set R(8) [O⃛O 2.661 (2) Å and O—H⃛O 175°]. Intermolecular CCp—H⃛πCpinteractions between the unsubstituted cyclo­penta­dienyl (Cp) rings and Cthiazole—H⃛πCpinteractions link neighbouring mol­ecules into a three‐dimensional network [C⃛Cg3.753 (7) Å and C—H⃛Cg156°, and C⃛Cg3.687 (3) Å and C—H⃛Cg129°; Cgis the ring centroid]. Intramolecular C—H⃛O inter­actions are present, graph set S(7) [C⃛O 2.925 (3) Å and C—H⃛O 120°, and the closest C—H⃛Sthienylcontact has a C⃛S distance of 3.058 (2) Å].
Databáze: Supplemental Index