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) (184.5 kbytes)
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (358.2 kbytes)
Contains datablock II


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