Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 1 (January 2008)

organic compounds

gg3133 scheme

Acta Cryst. (2008). C64, o27-o30 [ doi:10.1107/S0108270107064074 ]

Three 4,7-diaryl-2-ethylsulfanylpyrazolo[1,5-a][1,3,5]triazines

H. Insuasty, P. Mier, G. Suarez, J. N. Low, J. Cobo and C. Glidewell

Abstract: The molecular dimensions of 2-ethylsulfanyl-7-(4-methylphenyl)-4-phenylpyrazolo[1,5-a][1,3,5]triazine, C₂₀H₁₈N₄S, (I), 7-(4-chlorophenyl)-2-ethylsulfanyl-4-phenylpyrazolo[1,5-a][1,3,5]triazine, C₁₉H₁₅ClN₄S, (II), and 4,7-bis(4-chlorophenyl)-2-(ethylsulfanyl)pyrazolo[1,5-a][1,3,5]triazine, C₁₉H₁₄Cl₂N₄S, (III), show evidence for some aromatic delocalization in the pyrazole rings. The conformations adopted by the ethylsulfanyl substituents are different in all three compounds. There are no hydrogen bonds in any of the crystal structures, but pairs of molecules in (II) and (III) are linked into centrosymmetric dimers by [pi] -stacking interactions.

Formula: C₂₀H₁₈N₄S, C₁₉H₁₅ClN₄S and C₁₉H₁₄Cl₂N₄S


	Structure factor file (CIF format) (189.3 kbytes) [ doi:10.1107/S0108270107064074/gg3133Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (187.4 kbytes) [ doi:10.1107/S0108270107064074/gg3133IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (198.0 kbytes) [ doi:10.1107/S0108270107064074/gg3133IIIsup4.hkl ] Contains datablock III

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