3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid
In the title compound, C21H20N4O2, the statistically planar 1H-limidazole ring [maximum deviation = 0.003 (1) Å] makes dihedral angles of 1.33 (9) and 8.23 (7)°, respectively, with the essentially planar fused pyridine...
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International Union of Crystallography
2011-08-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811028765 |
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doaj-95de57b7f1bf4deca9741bf38274b4e82020-11-25T01:11:09ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-08-01678o2150o215010.1107/S16005368110287653-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acidHoong-Kun FunTara ShahaniDineshReshma KayarmarG. K. NagarajaIn the title compound, C21H20N4O2, the statistically planar 1H-limidazole ring [maximum deviation = 0.003 (1) Å] makes dihedral angles of 1.33 (9) and 8.23 (7)°, respectively, with the essentially planar fused pyridine ring [maximum devation = 0.018 (1) Å] and the pendant benzene ring, which is attached to the pyridine ring by an —NH— group. An intramolecular C—H...N interaction, which generates an S(6) ring, helps to estalish the molecular conformation. In the crystal, the molecules are linked by N—H...O, C—H...O and O—H—N hydrogen bonds, which generate bifurcated R12(6) and R22(9) ring motifs, resulting in supramolecular [001] chains. The crystal structure also features weak π–π stacking [centroid–centroid distance = 3.5943 (9) Å] and C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536811028765 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Hoong-Kun Fun Tara Shahani Dinesh Reshma Kayarmar G. K. Nagaraja |
spellingShingle |
Hoong-Kun Fun Tara Shahani Dinesh Reshma Kayarmar G. K. Nagaraja 3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid Acta Crystallographica Section E |
author_facet |
Hoong-Kun Fun Tara Shahani Dinesh Reshma Kayarmar G. K. Nagaraja |
author_sort |
Hoong-Kun Fun |
title |
3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid |
title_short |
3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid |
title_full |
3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid |
title_fullStr |
3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid |
title_full_unstemmed |
3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid |
title_sort |
3-[(1-isobutyl-1h-imidazo[4,5-c]quinolin-4-yl)amino]benzoic acid |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2011-08-01 |
description |
In the title compound, C21H20N4O2, the statistically planar 1H-limidazole ring [maximum deviation = 0.003 (1) Å] makes dihedral angles of 1.33 (9) and 8.23 (7)°, respectively, with the essentially planar fused pyridine ring [maximum devation = 0.018 (1) Å] and the pendant benzene ring, which is attached to the pyridine ring by an —NH— group. An intramolecular C—H...N interaction, which generates an S(6) ring, helps to estalish the molecular conformation. In the crystal, the molecules are linked by N—H...O, C—H...O and O—H—N hydrogen bonds, which generate bifurcated R12(6) and R22(9) ring motifs, resulting in supramolecular [001] chains. The crystal structure also features weak π–π stacking [centroid–centroid distance = 3.5943 (9) Å] and C—H...π interactions. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536811028765 |
work_keys_str_mv |
AT hoongkunfun 31isobutyl1himidazo45cquinolin4ylaminobenzoicacid AT tarashahani 31isobutyl1himidazo45cquinolin4ylaminobenzoicacid AT dinesh 31isobutyl1himidazo45cquinolin4ylaminobenzoicacid AT reshmakayarmar 31isobutyl1himidazo45cquinolin4ylaminobenzoicacid AT gknagaraja 31isobutyl1himidazo45cquinolin4ylaminobenzoicacid |
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1725172689109254144 |