Fun Route: New Discovery of 1671-88-1

This compound(3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine)Formula: C12H10N6 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Kitchen, Jonathan A.; White, Nicholas G.; Boyd, Maruta; Moubaraki, Boujemaa; Murray, Keith S.; Boyd, Peter D. W.; Brooker, Sally published an article about the compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine( cas:1671-88-1,SMILESS:NN1C(C2=NC=CC=C2)=NN=C1C3=NC=CC=C3 ).Formula: C12H10N6. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1671-88-1) through the article.

Eight mononuclear Fe(II) complexes of N4-3,5-di(2-pyridyl)-1,2,4-triazole (Rdpt) ligands were prepared and characterized. In all cases the Fe(II)/ligand ratio used is 1:3, giving red complexes [FeII(Rdpt)3](BF4)2·solvents, in 55-89% yield. The ligands differ only in the nature of the N4-substituent (amino, pyrrolyl, iso-Bu, Me, Ph, para-tolyl, 3,5-dichlorophenyl, and 4-pyridyl; for ligands adpt, pldpt, ibdpt, medpt, phdpt, ptdpt, Cldpt, and pydpt, resp.) allowing substituent effects on the properties of the resulting Fe(II) complexes to be probed. The low temperature crystal structures of seven of the complexes reveal low spin Fe(II) environments. Packing analyses reveal anion-π and MeCN-π interactions involving the tetrafluoroborate counteranions and interstitial MeCN mols., resp. Both π-pockets and π-sandwiches are observed Solid state magnetic susceptibility measurements (4-300 K) indicate the Fe(II) is low spin (LS) in all complexes at all temperatures studied, except for [FeII(pldpt)3](BF4)2·11/2H2O which has the beginnings of spin crossover (SCO) at elevated temperatures Downfield shifts and peak broadening observed in the variable temperature 1H NMR studies indicate that in d3-nitromethane solution the LS [FeII(Rdpt)3]2+ complexes are in equilibrium with a trace of a high spin (HS) species. 15N NMR spectra (measured and calculated) of the ligands reveal that altering the N4-substituent changes the chem. shift of the N1 triazole and pyridine N atoms, allowing probing of the relation between ligand substituent and the nature of the coordinating N atoms.

This compound(3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine)Formula: C12H10N6 was discussed at the molecular level, the effects of temperature and reaction time on the properties of the compound were discussed, and the optimum reaction conditions were selected.

Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem