Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, New Journal of Chemistry called Structural studies into the spin crossover behavior of Fe(abpt)2(NCS)2 polymorphs B and D, Author is Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A., which mentions a compound: 1671-88-1, SMILESS is NN1C(C2=NC=CC=C2)=NN=C1C3=NC=CC=C3, Molecular C12H10N6, COA of Formula: C12H10N6.
The spin-crossover behavior of [Fe(abpt)2(NCS)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorphs B and D was studied using single crystal x-ray diffraction to monitor changes in structural features. High pressure single crystal measurements on polymorph B showed that it underwent a monoclinic P21/n (Z’ = 0.5) to triclinic P-1 (Z’ = 2 x 0.5) phase transition between 11.5 and 13.5 kbar, at which point it also starts to undergo a thermally inaccessible spin crossover. In polymorph D which also crystallizes in the monoclinic space group P21/n (Z’ = 2 x 0.5) one of the unique Fe centers undergoes a thermal spin transition. It also displays light-induced excited spin-state trapping (LIESST), and a structure was obtained at 30 K through continuous irradiation with a 670. nm 5 mW continuous-wave laser. In addition high pressure single crystal measurements on polymorph D showed a stepped pressure induced spin transition. At ~9.6 kbar one of the unique Fe centers had undergone a spin transition and by ~15 kbar both of the unique Fe centers are essentially low spin, a situation that is thermally inaccessible. Crystallog. data were collected for both polymorphs using variable temperature or high pressure single crystal x-ray diffraction to allow changes in cell parameters, bond lengths and distortion parameters to be monitored for the spin crossover or phase transition.
From this literature《Structural studies into the spin crossover behavior of Fe(abpt)2(NCS)2 polymorphs B and D》,we know some information about this compound(1671-88-1)COA of Formula: C12H10N6, but this is not all information, there are many literatures related to this compound(1671-88-1).
Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem