Powder X-ray diffraction structural characterization of the coordination complex cis-[Co(κ²N,N′-1,10-phenanthroline-5,6-dione)₂Cl₂]

Abstract

The reduction of cis-[CoIII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2]Cl into the neutral compound cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2] was observed during developmental studies of new antimalarial drugs. The crystal structure of cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2] was unveiled by powder X-ray diffraction studies (PXRD). PXRD details, unit cell parameters, and space group for cis-[CoII(κ2N,N′-1,10-phenanthroline-5,6-dione)2Cl2], C24H12Cl2CoN4O4, are reported [a = 41.4951 (13) Å, b = 8.2768 (2) Å, c = 12.4994 (3) Å, unit cell volume V = 4292.9 (2) Å3, Z = 8, and space group Fdd2]. Infrared spectroscopy features are also discussed.

A Million Crystal Structures: The Whole Is Greater than the Sum of Its Parts

“…This gave a good fit, suggesting the structures were isostructural. This was then confirmed by performing the structure solution in the normal way, but keeping the ligand geometries fixed at those observed in the copper-complex . Conversely, before solving the structure of anhydrous rifampicin, Ibiapino et al compared its powder pattern with those of solvated forms calculated from their CSD crystal structures.…”

Synthesis, Characterization and DFT Studies of Some Co(II) and Cu(II) Complexes of 12-Membered Tetradentate [N4] Macrocyclic Schiff Base Derived from 9,10-Phenanthrenequinone

“…A good confirmation of the complex molecular weight was obtained from the base peak at (m/z) = 493.53 which corresponds to the formula C 34 H 28 N 4 which is in good agreement with the infrared results. PXRD studies: The X-ray diffraction patterns of both cobalt and copper complexes are given in Table-3 cobalt (JCPDS card no 15-0806) [25] whereas 44.316° and 50.493° corresponding to (111) and (200) relates to facecentered cubic copper (JCPDS card no 04-0836) [26]. Based upon the characteristic peak obtained (2θ value taken from Fig.…”