fac-Bromido/chlorido(0.50/0.50)[3-carbamoyl-1-(1,10-phenanthrolin-2-ylmethyl)pyridinium-κ2N,N′]tricarbonylmanganese(I) 0.49-bromide 0.51-chloride methanol monosolvate

• Main Authors: Kosei Wadayama, Tsugiko Takase, Dai Oyama
• Format: Article
• Language: English
• Published: International Union of Crystallography 2019-01-01
• Series: IUCrData
• Subjects: crystal structure; manganese complex; phenanthroline derivative; substitutional disorder; NAD-mimic ligand; carbonyl; hydrogen bonding
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2414314618017923
• ISSN: 2414-3146

The title complex, [MnBr0.50Cl0.50(C19H15N4O)(CO)3]Br0.49Cl0.51·CH3OH, exhibits substitutional disorder of the halogen ligand in the asymmetric unit, with almost the same occupancies for Br and Cl. The MnI atom is coordinated in a distorted octahedral environment by three carbonyl C atoms, the disordered X− ligand (X = Br or Cl) and two N atoms from the 1,10-phenanthroline ligand bearing a nicotinamide pendant moiety. The cation displays a fac configuration of the carbonyl ligands. There is another disorder between the chloride ligand and its trans-situated carbonyl ligand, and between Cl− and Br− at the position of the counter-anion. In the crystal, intermolecular C—H...X, N—H...X, O—H...X (X = Br or Cl) and C—H...O hydrogen bonds lead to the formation of a three-dimensional network.