Reference of 941-37-7, Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. The appropriate choice of redox mediator can avoid electrode passivation and overpotential. 941-37-7, Name is 1-Bromo-3,5-dimethyladamantane, SMILES is CC1(C2)CC3(C)CC2(Br)CC(C3)C1, belongs to bromides-buliding-blocks compound. In a article, author is Akkoc, S., introduce new discover of the category.
Single Crystal, DFT and Docking Studies of a Benzimidazolium Salt
A single-crystal of (C18H18N3)Br-+(-), namely, 3-[(2-cyanophenyl)methyl]-1-propyl-1H-benzo[d]imidazol-3-ium bromide, was studied using X-ray diffraction techniques. This compound crystallizes in the triclinic space group P (1) over bar, with Z = 2, a = 8.9153(9) angstrom, b = 10.2681(8) angstrom, c = 10.6528(10) angstrom, and V = 858.69 (14) angstrom(3). Ions are linked by C-H center dot center dot center dot Br hydrogen bonds in the crystal. The geometrical parameters (bond length, and angles), the highest occupied molecular orbital energy, and the lowest unoccupied molecular orbital energy of this S2 molecule were calculated using the Spartan 10 program. The structural data were calculated by the density functional method using the ground state with the 6-311++G** basic set. Furthermore, a molecular docking analysis was performed to determine the binding mode in the active site of tyrosinase with S2 ligand.
Reference of 941-37-7, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 941-37-7 is helpful to your research.