Formula: C12H10N6. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, is researched, Molecular C12H10N6, CAS is 1671-88-1, about Spin crossover in six-coordinate [Fe(L)2(NCX)2] compounds with L = DPQ = 2,3-bis-(2′-pyridyl)quinoxaline, ABPT = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole and X = S, Se: synthesis, magnetic properties and single crystal studies. Author is Moliner, Nicolas; Munoz, M. Carmen; Van Koningsbruggen, Petra J.; Real, Jose Antonio.
The Fe(II) compounds [Fe(DPQ)2(NCS)2]·COMe2 (DPQ = 2,3-bis-(2′-pyridyl)quinoxaline) (1) and [Fe(ABPT)2(NCX)2] [ABPT = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole, X = S (2) and Se (3)] were synthesized and the crystal structure of 1 determined by x-ray diffraction methods. It crystallizes in the monoclinic system space group P21/n, a 12.057(2), b 22.474(5), c 15.004(7) Å, β 109.76(3)°, Z = 4 and T = 293 K. The structure is made up of discrete [Fe(DPQ)2(NCS)2] units. Each metal atom is in a distorted FeN6 octahedral environment, the Fe-N bonds ranging from 2.013(8) Å to 2.425(8) Å. Variable-temperature magnetic susceptibility data in the temperature range 290-4.2 K revealed that 1 is high spin, in contrast to 2 and 3 which show a moderately cooperative high spin (HS ↔ LS) transition, centered at T1/2 = 186 K and 224 K for 2 and 3, resp. The thermodn. model of Slichter and Drickamer was applied to account for the magnetic data. The intermol. interaction parameters, the enthalpy and entropy changes associated with the spin transition of 2 were estimated as Γ = 2.3 kJ mol-1, ΔH = 10.7 kJ mol-1 and ΔS = 58 J mol-1 K-1, resp.
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Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem