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Intermolecular O-H...O and C-H...π(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid

Gallagher, John F. and Hudson, Richard D.A. and Manning, Anthony R. (2001) Intermolecular O-H...O and C-H...π(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid. Acta Crystallographica Section C, 57 (1). pp. 28-30. ISSN 0108-2701

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Abstract

The title compound, [Fe(C₅H₅)(C₁₀H₇O₂S)], an important precursor en route to organometallic donor-π-acceptor systems, forms dimers in the solid state through cyclic intermolecular carboxylic acid O-H...O hydrogen bonds, graph set R²₂(8) [O...O 2.661 (2) Å and O-H...O 175°]. Intermolecular Ccp-H...πcp interactions between the unsubstituted cyclopentadienyl (Cp) rings and Cthiazole-H...πcp interactions link neighbouring molecules into a three-dimensional network [C...Cg 3.753 (7) Å and C-H...Cg 156°, and C...Cg 3.687 (3) Å and C-H...Cg 129°; Cg is the ring centroid]. Intramolecular C-H...O interactions are present, graph set S(7) [C...O 2.925 (3) Å and C-H...O 120°, and the closest C-H...Sthienyl contact has a C...S distance of 3.058 (2) Å].

Item Type:Article (Published)
Refereed:Yes
Subjects:Physical Sciences > Organic chemistry
Physical Sciences > Chemistry
Physical Sciences > Crystallography
DCU Faculties and Centres:DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences
Publisher:International Union of Crystallography
Official URL:http://dx.doi.org/10.1107/S0108270100014360
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:153
Deposited On:21 Jan 2008 by DORAS Administrator. Last Modified 02 Feb 2009 11:40

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