Abstract
The structures of four isomeric compounds, all C7H 4ClNO4·C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitro- benzoic acid-quinoline (1/1), (I), 3-chloro-2-nitro-benzoic acid-quinoline (1/1), (II), 4-chloro-2-nitro-benzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitro-benzoic 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 N⋯O 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.
| Original language | English |
|---|---|
| Journal | Acta Crystallographica Section C: Crystal Structure Communications |
| Volume | 65 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - 2009 |
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ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)
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Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitro-benzoic acid, 3-chloro-2-nitro-benzoic acid, 4-chloro-2-nitro-benzoic acid and 5-chloro-2-nitro-benzoic acid. / Gotoh, Kazuma; Ishida, Hiroyuki.
In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 65, No. 10, 2009.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitro-benzoic acid, 3-chloro-2-nitro-benzoic acid, 4-chloro-2-nitro-benzoic acid and 5-chloro-2-nitro-benzoic acid
AU - Gotoh, Kazuma
AU - Ishida, Hiroyuki
PY - 2009
Y1 - 2009
N2 - The structures of four isomeric compounds, all C7H 4ClNO4·C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitro- benzoic acid-quinoline (1/1), (I), 3-chloro-2-nitro-benzoic acid-quinoline (1/1), (II), 4-chloro-2-nitro-benzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitro-benzoic 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 N⋯O 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.
AB - The structures of four isomeric compounds, all C7H 4ClNO4·C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitro- benzoic acid-quinoline (1/1), (I), 3-chloro-2-nitro-benzoic acid-quinoline (1/1), (II), 4-chloro-2-nitro-benzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitro-benzoic 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 N⋯O 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.
UR - http://www.scopus.com/inward/record.url?scp=70349808219&partnerID=8YFLogxK
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U2 - 10.1107/S0108270109037688
DO - 10.1107/S0108270109037688
M3 - Article
C2 - 19805889
AN - SCOPUS:70349808219
VL - 65
JO - Acta Crystallographica Section C: Crystal Structure Communications
JF - Acta Crystallographica Section C: Crystal Structure Communications
SN - 0108-2701
IS - 10
ER -