Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

• Main Authors: Marharyta I. Kharlova, Kseniia O. Piletska, Kostiantyn V. Domasevitch, Alexander V. Shtemenko
• Format: Article
• Language: English
• Published: International Union of Crystallography 2017-04-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; rhenium(I) carbonyl complex; 5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989017003371

In the title compound, [ReBr(C16H16N4O3)(CO)3]·CH3OH, the ReI atom adopts a distorted octahedral coordination sphere with a facial arrangement of the three carbonyl ligands. Two N atoms of the chelating 5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two carbonyl ligands define the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in axial positions. Conventional hydrogen bonds including the methanol solvent molecules assemble the complex molecules through mutual N—H...O—H...Br links [N...O = 2.703 (3) Å and O...Br = 3.255 (2) Å] into centrosymmetric dimers, whereas weaker C—H...O and C—H...Br hydrogen bonds [C...O = 3.215 (3)–3.390 (4) Å and C...Br = 3.927 (3) Å] connect the dimers into double layers parallel to the (111) plane.