Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 3 (March 2006)

organic compounds

sk1896 scheme

Acta Cryst. (2006). C62, o122-o124 [ doi:10.1107/S0108270106002952 ]

Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R₂²(10), R₂²(16), R₄⁴(22) and R₄⁴(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine

H. Insuasty, M. Estrada, J. Cobo, J. N. Low and C. Glidewell

Abstract: In each of 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine, C₁₅H₁₆N₄S, (I), and 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine, C₁₄H₁₃N₅O₂S, (II), there is significant bond fixation in the heterocyclic component. While there are no direction-specific intermolecular interactions in the structure of (I), the molecules of (II) are linked by a combination of C-HO and C-HS hydrogen bonds into sheets containing four types of ring, all centrosymmetric.

Formula: C₁₅H₁₆N₄S and C₁₄H₁₃N₅O₂S


	Structure factor file (CIF format) (151.7 kbytes) [ doi:10.1107/S0108270106002952/sk1896Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (156.5 kbytes) [ doi:10.1107/S0108270106002952/sk1896IIsup3.hkl ] Contains datablock II

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