Acta Crystallographica Section C

Volume 65, Part 10 (October 2009)

organic compounds

gd3308 scheme

Acta Cryst. (2009). C65, o534-o538 [ doi:10.1107/S0108270109037688 ]

Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid

K. Gotoh and H. Ishida

Abstract: The structures of four isomeric compounds, all C₇H₄ClNO₄·C₉H₇N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitrobenzoic acid-quinoline (1/1), (I), 3-chloro-2-nitrobenzoic acid-quinoline (1/1), (II), 4-chloro-2-nitrobenzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitrobenzoic acid-quinoline (1/1), (IV), have been determined at 185 K. In each compound, a short hydrogen bond is observed between the pyridine N atom and a carboxyl O atom. The NO distances are 2.6476 (13), 2.5610 (13), 2.5569 (12) and 2.5429 (12) Å for (I), (II), (III) and (IV), respectively. Although in (I) the H atom in the hydrogen bond is located at the O site, in (II), (III) and (IV) the H atom is disordered in the hydrogen bond over two positions with (N site):(O site) occupancies of 0.39 (3):0.61 (3), 0.47 (3):0.53 (3) and 0.65 (3):0.35 (3), respectively.

Formula: Four isomers of C₇H₄ClNO₄·C₉H₇N


	Structure factor file (CIF format) (201.3 kbytes) [ doi:10.1107/S0108270109037688/gd3308Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (206.0 kbytes) [ doi:10.1107/S0108270109037688/gd3308IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (207.6 kbytes) [ doi:10.1107/S0108270109037688/gd3308IIIsup4.hkl ] Contains datablock III

	Structure factor file (CIF format) (209.6 kbytes) [ doi:10.1107/S0108270109037688/gd3308IVsup5.hkl ] Contains datablock IV

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