Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 10 (October 2004)

organic compounds

Acta Cryst. (2004). C60, o733-o736 [ doi:10.1107/S0108270104020256 ]

Hydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1H-1,2,4-triazole-5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (1/1), the co-crystal of a reaction product and one of its precursors

N. Boechat, K. D. B. Dutra, A. L. Valverde, S. M. S. V. Wardell, J. N. Low and C. Glidewell

Abstract: In the title compounds, C₇H₅F₃N₄O, (I), and C₃H₃F₃N₄·C₇H₅F₃N₄O, (II), all of the molecular components exhibit some polarization of their molecular-electronic structures. The molecules in (I) are linked into simple C(6) chains, while in (II), the components are linked by a combination of two-centre N-HN and N-HO, and three-centre N-H(O,N) hydrogen bonds into chains containing R ${_1^2}$ (5), R ${_2^1}$ (6) and R ${_2^2}$ (8) rings.

Formula: C₇H₅F₃N₄O and C₃H₃F₃N₄·C₇H₅F₃N₄O


	Structure factor file (CIF format) (91.7 kbytes) Contains datablock I

	Structure factor file (CIF format) (78.7 kbytes) Contains datablock II

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