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Gallagher JF, Hudson RD, Manning AR. Intermolecular O-H...O and C-H...pi(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid. Acta Crystallogr C. 2001;57:28-30doi: 10.1107/s0108270100014360.
Gallagher , J. F., Hudson , R. D., & Manning , A. R. (2001). Intermolecular O-H...O and C-H...pi(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid. Acta crystallographica. Section C, Crystal structure communications, 5728-30. https://doi.org/10.1107/s0108270100014360
Gallagher , J F, et al. "Intermolecular O-H...O and C-H...pi(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid." Acta crystallographica. Section C, Crystal structure communications vol. 57 (2001): 28-30. doi: https://doi.org/10.1107/s0108270100014360
Gallagher JF, Hudson RD, Manning AR. Intermolecular O-H...O and C-H...pi(C5H5), and intramolecular C-H...O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid. Acta Crystallogr C. 2001 Jan;57:28-30. doi: 10.1107/s0108270100014360. PMID: 11173386.
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Acta Crystallogr C. 2001 Jan;57:28-30. doi: 10.1107/s0108270100014360.

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

Acta crystallographica. Section C, Crystal structure communications

J F Gallagher , R D Hudson , A R Manning

Affiliations

  1. School of Chemical Sciences, Dublin City University, Dublin 9, Ireland. [email protected]

PMID: 11173386 DOI: 10.1107/s0108270100014360

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].

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