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
| Autor: | Kostiantyn V. Domasevitch, Marharyta I. Kharlova, A. V. Shtemenko, Kseniia O. Piletska |
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| Rok vydání: | 2017 |
| Předmět: |
crystal structure
Coordination sphere Stereochemistry chemistry.chemical_element Crystal structure 010402 general chemistry 01 natural sciences Medicinal chemistry Research Communications chemistry.chemical_compound rhenium(I) carbonyl complex Bromide General Materials Science Crystallography 010405 organic chemistry Hydrogen bond Ligand 5-(3 4 5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1 2 4-triazole Tricarbon 1 2 4-Triazole General Chemistry Rhenium Condensed Matter Physics 5-(3 4 5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1 2 4-triazole 0104 chemical sciences chemistry QD901-999 |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 4, Pp 484-487 (2017) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| DOI: | 10.1107/s2056989017003371 |
| Popis: | The ReI atom in the title methanol solvate is coordinated octahedrally by two N atoms of the chelating organic ligand, one Br atom and three facially configured carbonyl ligands. Hydrogen bonds between the complex and methanol solvent molecules lead to a layered arrangement in the structure. 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. |
| Databáze: | OpenAIRE |
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