584-13-4Relevant articles and documents
Novel compounds of 4-amino-1,2,4-triazole with dicarboxylic acids - crystal structures, vibrational spectra and non-linear optical properties
Matulková, Irena,Němec, Ivan,Teubner, Karel,Němec, Petr,Mi?ka, Zdeněk
, p. 46 - 60 (2008)
Three novel 4-amino-1,2,4-triazole compounds with oxalic, succinic and adipic acids have been prepared and X-ray structural analysis has been carried out. The organic salt 4-amino-1,2,4-triazol-1-ium hydrogen oxalate crystallizes in the monoclinic space group P21, a = 3.7280(2), b = 18.349(1), c = 4.9680(4) ?, β = 101.134(5)°, V = 333.44(4) ?3, Z = 2, R = 0.0284 for 1328 observed reflections. The crystal structure consists of periodically alternating layers (parallel to a axis) formed by chains of hydrogen oxalate anions connected by strong O-H?O hydrogen bonds. The layers are interconnected by 4-amino-1,2,4-triazol-1-ium cations via N-H?O hydrogen bonds. The addition compound 4-amino-1,2,4-triazole-succinic acid (1:1) crystallizes in the monoclinic space group P21/c, a = 11.8130(5), b = 5.0690(3), c = 16.5280(5) ?, β = 117.285(3)°, V = 879.58(7) ?3, Z = 4, R = 0.0352 for 1701 observed reflections. The crystal structure is formed by zig-zag chains (parallel to b axis) of 4-amino-1,2,4-triazole molecules, connected by N-H?N hydrogen bonds, and isolated molecules of succinic acid which interconnect these chains by O-H?N and N-H?O hydrogen bonds. The addition compound 4-amino-1,2,4-triazole-adipic acid (2:1) crystallizes in the monoclinic space group P21/c, a = 6.3610(3), b = 8.0580(2), c = 14.8750(5) ?, β = 104.072(2)°, V = 739.57(5) ?3, Z = 2, R = 0.0487 for 1793 observed reflections. The crystal structure consists of pairs of parallel linear chains (mediated by N-H?N hydrogen bonds) of 4-amino-1,2,4-triazole molecules that are interconnected by isolated adipic acid molecules via O-H?N and N-H?O hydrogen bonds. Neighbouring chains, which are parallel to a axis, do not exhibit any H-bond contact between each other. The FTIR and FT Raman spectra of all three compounds were recorded, calculated and discussed. Quantitative measurements of second harmonic generation of powdered 4-amino-1,2,4-triazol-1-ium hydrogen oxalate at 800 nm were performed and a relative efficiency of 38% (compared to KDP) was observed.
Method for synthesizing azaconazole through 4-amino-4H-1,2,4-triazole alkylation
-
Paragraph 0054, (2018/11/03)
The invention discloses a method for synthesizing azaconazole through 4-amino-4H-1,2,4-triazole alkylation. The method comprises step 1, preparing a raw material which is shown in a following image; step 2, synthesizing 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazole-1-yl) ethanone; step 3, synthesizing azaconazole. The method disclosed by the invention has the advantages that development of a novel azaconazole bactericide successfully fills the blank in China, synthesis researches of similar derivatives based on the azaconazole bactericide will be in the ascendant, and successful development andindustrial implementation of varieties of novel bactericides have a far-reaching influence on national economy development. The method disclosed by the invention is an azaconazole synthesizing method.
Dinuclear complexes with a triple N1,N2-triazole bridge that exhibit partial spin crossover and weak antiferromagnetic interactions
Roubeau, Olivier,Gamez, Patrick,Teat, Simon J.
, p. 934 - 942 (2013/06/26)
The reaction of 4-phenylimino-1,2,4-triazole (1) with FeII, CoII, NiII and CuII thiocyanate produces a series of analogous dinuclear compounds of formula [M2 (1)5 (NCS)4] (2-5) as demonstrated by single-crystal X-ray diffraction studies of the FeII (2) and CoII (3) analogues. The magnetic properties of [Fe2(1)5(NCS)4]·xMeOH (x = 3.5-5) reveal a partial and gradual spin crossover (SCO) centred at TSCO = 115 K. This is confirmed by its crystal structure solved at 100, 150 and 250 K, which exhibits a gradual decrease of the Fe-N bond lengths with temperature. However, the bulk hydrated form of 2 that is generated upon exposure to air of crystals is a high-spin compound that exhibits weak antiferromagnetic interaction. The exchange coupling among the FeII S = 2 ions within the dinuclear neutral complex was evaluated as J/kB = -1.33(3) K by using the Heisenberg Hamiltonian H = -2JS1·S2. Similarly, the magnetic properties of the NiII (4) and CuII (5) analogues are dominated by moderate and weak antiferromagnetic interactions evaluated as J/kB = -13.9(3) and -0.30(5) K, respectively. The presence of strong spin-orbit coupling of the individual CoII ions impeded the evaluation of the likely antiferromagnetic interaction that leads to a singlet ground state in 3. The reported structures of 2 and 3 are new additions to a very scarce family of dinuclear complexes bearing a unique triple N1,N2-triazole bridge. Owing to its relevance in the peculiar properties of 1D triazolebased SCO materials, which are widely studied for their various potential applications, a structural analysis of this triple N1,N2-triazole bridge in reported structures of FeII and CoII trinuclear and 1D compounds is provided.
