Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 6 (June 2005)

organic compounds

sk1841 scheme

Acta Cryst. (2005). C61, o398-o403 [doi:10.1107/S0108270105013260]

Two isomeric pairs of dihydrobenzopyrazoloquinazolines: centrosymmetric dimers, chains and sheets built from C-HN and C-H(arene) hydrogen bonds and - stacking interactions

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

Abstract: Molecules of 5-methyl-2-phenyl-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline, C₂₁H₁₇N₃, (I), are linked into chains by a combination of a C-H [bold pi] (arene) hydrogen bond and a - stacking interaction; in the closely related 5-methyl-2-(4-methylphenyl)-6,7-dihydrobenzo[h]pyrazolo[1,5-a]quinazoline, C₂₂H₁₉N₃, (II), there are no hydrogen bonds and the molecules are linked into centrosymmetric dimers by a - stacking interaction. 7-Methyl-10-phenyl-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline, C₂₁H₁₇N₃, (III), is isomeric with (I), and the molecules of (III) are linked into sheets by a combination of C-HN and C-H [bold pi] (arene) hydrogen bonds. 7-Methyl-10-(4-methylphenyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline, C₂₂H₁₉N₃, (IV), is isomeric with (II), and molecules of (IV) are linked into centrosymmetric dimers by a C-H(arene) hydrogen bond, augmented by - stacking interactions.

Formula: C₂₁H₁₇N₃ and C₂₂H₁₉N₃


	Structure factor file (CIF format) (175.5 kbytes) Contains datablock I

	Structure factor file (CIF format) (132.7 kbytes) Contains datablock II

	Structure factor file (CIF format) (184.6 kbytes) Contains datablock IV

	Structure factor file (CIF format) (174.4 kbytes) Contains datablock III

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