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The crystal structure of 3-chloro-2-(4-methyl-phenyl)-2H-pyrazolo-[3,4-b]quinoline.

ABSTRACT: In the mol-ecule of 3-chloro-2-(4-methyl-phen-yl)-2H-pyrazolo-[3,4-b]quinoline, C17H12ClN3, (I), the dihedral angle between the planes of the pyrazole ring and the methyl-ated phenyl ring is 54.25?(9)°. The bond distances in the fused tricyclic system provide evidence for 10-? delocalization in the pyrazolo-pyridine portion of the mol-ecule, with diene character in the fused carbocyclic ring. In the crystal, mol-ecules of (I) are linked by two independent C-H?N hydrogen bonds, forming sheets containing centrosymmetric R 2 (2)(16) and R 6 (4)(28) rings, and these sheets are all linked together by ?-? stacking inter-actions with a ring-centroid separation of 3.5891?(9)?Å.

SUBMITTER: Sowmya HB 

PROVIDER: S-EPMC4420078 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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The crystal structure of 3-chloro-2-(4-methyl-phenyl)-2H-pyrazolo-[3,4-b]quinoline.

Sowmya Haliwana B V HB   Suresha Kumara Tholappanavara H TH   Jasinski Jerry P JP   Millikan Sean P SP   Yathirajan Hemmige S HS   Glidewell Christopher C  

Acta crystallographica. Section E, Crystallographic communications 20150430 Pt 5

In the mol-ecule of 3-chloro-2-(4-methyl-phen-yl)-2H-pyrazolo-[3,4-b]quinoline, C17H12ClN3, (I), the dihedral angle between the planes of the pyrazole ring and the methyl-ated phenyl ring is 54.25 (9)°. The bond distances in the fused tricyclic system provide evidence for 10-π delocalization in the pyrazolo-pyridine portion of the mol-ecule, with diene character in the fused carbocyclic ring. In the crystal, mol-ecules of (I) are linked by two independent C-H⋯N hydrogen bonds, forming sheets con  ...[more]

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