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

Autor: Sowmya HB; PG Department of Chemistry, Jain University, 52 Bellary Road, Hebbal, Bangalore 560 024, India., Suresha Kumara TH; University B.D.T. College of Engineering, (a Constituent College of VTU, Belgaum), Davanagere 577 004, India., Jasinski JP; Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA., Millikan SP; Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA., Yathirajan HS; Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India., Glidewell C; School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, Scotland.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2015 Apr 30; Vol. 71 (Pt 5), pp. 567-70. Date of Electronic Publication: 2015 Apr 30 (Print Publication: 2015).
DOI: 10.1107/S205698901500818X
Abstrakt: 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 containing centrosymmetric R 2 (2)(16) and R 6 (4)(28) rings, and these sheets are all linked together by π-π stacking inter-actions with a ring-centroid separation of 3.5891 (9) Å.
Databáze: MEDLINE