Abstract
4-Amino-1,2,4-triazol-5-one hydrate (ATO·H2O) was prepared and its structure was analyzed by four-circle diffraction measurement. The obtained results show that the crystal belongs to the triclinic crystal system, space group P 1 with crystal parameters a = 6.432(1), b = 6.551(1), c = 6.740(1) Å; α = 68.04(1), β = 82.18(1), γ = 81.90(1)°; V = 259.7(7) Å3; Z = 2; Dc = 1.510g/cm 3; μ = 0.131 mm-1; F(000) = 124. ATO·H 2O was characterized by FT-IR analysis, X-ray diffraction analysis, and single crystal diffraction analysis.
| Original language | English |
|---|---|
| Pages (from-to) | 461-466 |
| Number of pages | 6 |
| Journal | Chemistry of Heterocyclic Compounds |
| Volume | 39 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - Apr 2003 |
Keywords
- 4-amino-1,2,4-triazol-5-one
- Crystal structure
- Molecular structure
- Structure characterization
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