Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 8 (August 2004)

organic compounds

sk1742 scheme

Acta Cryst. (2004). C60, o604-o607    [ doi:10.1107/S0108270104015616 ]

10-(4-Chloro­phenyl)-7-methyl-5,6-di­hydro­benzo­[h]­pyrazolo­[5,1-b]­quinazoline and 2-(4-chloro­phenyl)-5-methyl-6,7-di­hydro­benzo­[h]­pyrazolo[1,5-a]­quinazoline: isomeric mol­ecules linked into hydrogen-bonded dimers or [pi]-stacked chains

J. N. Low, J. Cobo, J. Quiroga, J. Portilla and C. Glidewell

Abstract: The isomeric title compounds 10-(4-chloro­phenyl)-7-methyl-5,6-di­hydro­benzo­[h]­pyrazolo­[5,1-b]­quinazoline, (I), and 2-(4-chloro­phenyl)-5-methyl-6,7-di­hydro­benzo­[h]­pyrazolo­[1,5-a]quinazoline, (II), both C21H16ClN3, exhibit peripheral delocalization in the heteroaromatic portion of the fused ring system. The mol­ecules of (I) are linked into centrosymmetric dimers by a single C-H...[pi](arene) hydrogen bond, and the mol­ecules of (II), where Z' = 2, are linked by [pi]-[pi] stacking interactions into chains in which the two types of mol­ecules alternate.

Formula: Two isomers of C21H16ClN3

hkldisplay filedownload file

Structure factor file (CIF format)
[ doi:10.1107/S0108270104015616/sk1742Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format)
[ doi:10.1107/S0108270104015616/sk1742IIsup3.hkl ]
Contains datablock {vcif ERROR: unable to open file /journals/webproduction/sites/cjo-test/c/issues/2004/08/00/sk1742/sk1742IIsup3.hkl - exiting}


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