Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1671-88-1, is researched, SMILESS is NN1C(C2=NC=CC=C2)=NN=C1C3=NC=CC=C3, Molecular C12H10N6Journal, Inorganica Chimica Acta called Synthesis, x-ray structure, spectroscopic and magnetic properties of [bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N’,N1)(aqua)copper(II)] bis(hydrogensulfate), Author is van Koningsbruggen, Petra J.; Goubitz, Kees; Haasnoot, Jaap G.; Reedijk, Jan, the main research direction is copper aminobispyridyltriazole complex preparation structure; crystal structure copper aminobispyridyltriazole complex; hydrogen bond copper aminobispyridyltriazole complex.Name: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine.
The synthesis, crystal structure, spectroscopic and magnetic properties of a five-coordinated mononuclear Cu(II) compound with the ligand 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole (abpt) (abbreviated as abpt) is reported. [Cu(abpt)2(H2O)](HSO4)2 crystallizes in the triclinic space group C2/c, with a 15.0685(9), b 9.6108(5), c 19.691(1) Å, β 93.611(5)°, V = 2846.0(3) Å3 and Z = 4. The least-squares refinement based on 2028 significant reflections, with I > 2.5σI, converged to R = 0.037 and Rw = 0.043. The mol. structure consists of a mononuclear five-coordinated Cu(II) cation. Two abpt ligands act as bidentate chelating ligands with Cu-N(1) = 1.958(3), Cu-N(51) = 2.066(3) Å and an N(1)-Cu-N(51) angle of 80.1(1)°. A H2O mol. is coordinated (Cu-O(1) = 2.124(4) Å). The Cu and O(1) are in special positions. The anions are the unusual hydrogensulfate (HSO4-) which have remarkably short acceptor H bonds to the same coordinating H2O mol. (O(1)-O(13) (1-x, y, 0.50-z) = 2.701(4), H(1)-O(13) (1-x, y, 0.50-z) = 1.74(4) Å, O(1)-H(1)···O(13) (1-x, y, 0.50-z) = 167(4)°). Absorptions of the (low symmetry) H bonded hydrogensulfate anion can easily be found in the IR spectrum. The X-band powder ESR spectra show the usual rhombic spectrum for a Cu(II) ion in a five-coordination. Despite the strong H-bonding network no evidence for Cu···Cu exchange splittings are observed, in agreement with the magnetic susceptibility measurements over the temperature range 4.2-290 K, where the product of the magnetic susceptibility and the temperature remains constant at 0.325 cm3 mol-1 K.
The article 《Synthesis, x-ray structure, spectroscopic and magnetic properties of [bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N’,N1)(aqua)copper(II)] bis(hydrogensulfate)》 also mentions many details about this compound(1671-88-1)Name: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, you can pay attention to it, because details determine success or failure
Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem