Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 12 (December 2003)

Acta Cryst. (2003). C59, o696-o699 [doi:10.1107/S0108270103025058]

2-Amino-6-(1-imidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine and 2-amino-6-(1-benzimidazolylmethyl)-4-(3,5,5-trimethyl-2-pyrazolin-1-yl)-1,3,5-triazine hemihydrate

M. Gdaniec, F. Saczewski and Z. Brzozowski

Abstract: The two title compounds, C₁₃H₁₈N₈ and C₁₇H₂₀N₈·0.5H₂O, possess similar molecular shapes, with the pyrazoline moiety and s-triazine ring located approximately in one plane, and the imidazole or benzimidazole ring nearly perpendicular to the s-triazine nucleus. In both crystal structures, despite there being a large number of accessible hydrogen-bond acceptor sites, only one H atom from the NH₂ group is involved in hydrogen bonding; the molecules are assembled into discrete centrosymmetric dimers via a pair of nearly linear N-HN hydrogen bonds.

Formula: C₁₃H₁₈N₈ and C₁₇H₂₀N₈·0.5H₂O

Online 14 November 2003


	Structure factor file (CIF format) (139.1 kbytes) Contains datablock I

	Structure factor file (CIF format) (149.0 kbytes) Contains datablock II

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