Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 11 (November 2006)

organic compounds

my3010 scheme

Acta Cryst. (2006). C62, o643-o646 [ doi:10.1107/S0108270106037668 ]

N-HN and C-H interactions in 4-amino-3-methyl-5-(p-tolyl)-4H-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole

O. Sahin, O. Büyükgüngör, S. Sasmaz, N. Gümrükçüoglu and C. Kantar

Abstract: The title compounds, C₁₀H₁₂N₄, (I), and C₉H₁₀N₄, (II), have been synthesized and characterized both spectroscopically and structurally. The dihedral angles between the triazole and benzene ring planes are 26.59 (9) and 42.34 (2)°, respectively. In (I), molecules are linked principally by N-HN hydrogen bonds involving the amino NH₂ group and a triazole N atom, forming R₄⁴(20) and R₂⁴(10) rings which link to give a three-dimensional network of molecules. The hydrogen bonding is supported by two different C-H [pi] interactions from the tolyl ring to either a triazole ring or a tolyl ring in neighboring molecules. In (II), intermolecular hydrogen bonds and C-H [pi] interactions produce R₃⁴(15) and R₄⁴(21) rings.

Formula: C₁₀H₁₂N₄ and C₉H₁₀N₄


	Structure factor file (CIF format) (100.6 kbytes) [ doi:10.1107/S0108270106037668/my3010Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (81.7 kbytes) [ doi:10.1107/S0108270106037668/my3010IIsup3.hkl ] Contains datablock II

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