3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]-benzoic acid.

ABSTRACT: In the title compound, C(21)H(20)N(4)O(2), 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 intra-molecular C-H?N inter-action, which generates an S(6) ring, helps to estalish the mol-ecular conformation. In the crystal, the mol-ecules are linked by N-H?O, C-H?O and O-H-N hydrogen bonds, which generate bifurcated R(1) (2)(6) and R(2) (2)(9) ring motifs, resulting in supra-molecular [001] chains. The crystal structure also features weak ?-? stacking [centroid-centroid distance = 3.5943?(9)?Å] and C-H?? inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3213588 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature