Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 7 (July 2005)

organic compounds

sk1849 scheme

Acta Cryst. (2005). C61, o452-o456 [doi:10.1107/S0108270105016720]

Hydrogen-bonded chains in isostructural 5-methyl-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine, and sheets of -stacked hydrogen-bonded chains in 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a\]pyrimidine

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

Abstract: 5-Methyl-2-(4-methylphenyl)-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine, C₁₇H₁₇N₃, 2-(4-chlorophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine, C₁₆H₁₄ClN₃, and 2-(4-bromophenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine, C₁₆H₁₄BrN₃, are isostructural; in each compound, the molecules are linked into chains by a single C-H [bold pi] (arene) hydrogen bond. Molecules of 2-(4-methoxyphenyl)-5-methyl-7,8-dihydro-6H-cyclopenta[g]pyrazolo[1,5-a]pyrimidine, C₁₇H₁₇N₃O, are linked by a single C-HN hydrogen bond into chains, which are themselves linked into sheets by a - stacking interaction.

Formula: C₁₇H₁₇N₃, C₁₆H₁₄ClN₃, C₁₆H₁₄BrN₃ and C₁₇H₁₇N₃O


	Structure factor file (CIF format) (149.2 kbytes) Contains datablock I

	Structure factor file (CIF format) (151.0 kbytes) Contains datablock II

	Structure factor file (CIF format) (156.6 kbytes) Contains datablock IV

	Structure factor file (CIF format) (153.4 kbytes) Contains datablock III

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