title: Intermolecular O-H...O and C-H...pi(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid.
abstract: The title compound, [Fe(C5H5)(C10H7O2S)], an important precursor en route to organometallic donor-pi-acceptor systems, forms dimers in the solid state through cyclic intermolecular carboxylic acid O-H...O hydrogen bonds, graph set R2(2)(8) [O...O 2.661 (2) A and O-H...O 175 degrees ]. Intermolecular C(Cp)-H...pi(Cp) interactions between the unsubstituted cyclopentadienyl (Cp) rings and C(thiazole)-H...pi(Cp) interactions link neighbouring molecules into a three-dimensional network [C...Cg 3.753 (7) A and C-H...Cg 156 degrees, and C...Cg 3.687 (3) A and C-H...Cg 129 degrees; Cg is the ring centroid]. Intramolecular C-H...O interactions are present, graph set S(7) [C...O 2.925 (3) A and C-H...O 120 degrees, and the closest C-H...S(thienyl) contact has a C...S distance of 3.058 (2) A].
authors.affiliation: School of Chemical Sciences, Dublin City University, Dublin 9, Ireland. john.gallagher@dcu.ie
authors.forename: J F
authors.initials: JF
authors.lastname: Gallagher
authors.forename: R D
authors.initials: RD
authors.lastname: Hudson
authors.forename: A R
authors.initials: AR
authors.lastname: Manning