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organic compounds Acta Crystallographica Section E Structure Reports Online

By Gavin A. Craig, A Lynne H. Thomas, A Martin S. Adam, Angela Ballantyne, B Andrew Cairns, B Stephen C. Cairns, Gary Copel, B Clifford Harris, B Eve Mccalmont, Robert Mctaggart, B Alan R. G. Martin, B Sarah Palmer, Jenna Quail, B Harriet Saxby, B Duncan J. Sneddon, Wilson A and Andrew Parkin A

Abstract

disorder in main residue; R factor = 0.035; wR factor = 0.099; data-to-parameter ratio = 12.7. In the title compound, C7H5FO2 C7H7NO, a moderatestrength hydrogen bond is formed between the carboxyl group of one molecule and the pyridine N atom of the other. The benzoic acid molecule is observed to be disordered over two positions with the second orientation only 4 % occupied. This disorder is also reflected in the presence of diffuse scattering in the diffraction pattern. Related literature For the structure of pure m-fluorobenzoic acid, see: Taga et al. (1985). For standard bond-length data, see: Allen et al. (1992). Experimental Crystal dat

Year: 2009
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