Six tris(bipyridyl)iron(II) complexes with 2-substituted 1,1,3,3-tetracyanopropenide, perchlorate and tetrafluoridoborate anions; order versus disorder, hydrogen bonding and C - N⋯π interactions
| Autor: | Juan M. Gutiérrez-Zorrilla, Takashi Matsumoto, Zouaoui Setifi, Abderezak Addala, Christopher Glidewell, Beñat Artetxe, Yukio Morimoto |
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| Přispěvatelé: | University of St Andrews. School of Chemistry |
| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: |
Hydrogen bonding
crystal structure synthesis Chemistry(all) C—N...π interactions Ionic bonding tris(bipyridyl)iron(II) complexes Crystal structure 010402 general chemistry 01 natural sciences Medicinal chemistry Supramolecular assembly Research Communications lcsh:Chemistry Perchlorate chemistry.chemical_compound Synthesis polynitrile anions C—N⋯π interactions Materials Science(all) Pyridine Disorder General Materials Science Isostructural supramolecular assembly biology 010405 organic chemistry Chemistry Hydrogen bond tris(bipyridyl)iron(II) complexes DAS General Chemistry disorder biology.organism_classification hydrogen bonding Condensed Matter Physics 0104 chemical sciences lcsh:QD1-999 C - N⋯π interactions Tetra supramolecular assembly Polynitrile anions |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 12, Pp 1717-1726 (2018) |
| Popis: | The structures are reported of six racemic tris(bipyridyl)iron salts with a range of 2-substituted-1,1,3,3-tetracyanopropenide anions, mostly also containing either perchlorate or tetrafluoridoborate as co-anions. In three of the compounds the polynitrile anions are fully ordered, and in three others they are disordered, while the co-anion is also ordered in three compounds, but disordered in two others. Supramolecular assemblies range from no continuous aggregation up to a three-dimensional hydrogen-bonded framework structure. Structures are reported for six closely related salts of tris(bipyridyl)iron(II) cations, namely tris(2,2′-bipyridine)iron(II) bis(1,1,3,3-tetracyano-2-methoxypropenide) 0.776-hydrate, [Fe(C10H8N2)3](C8H3N4O)2.0.776H2O, (I), tris(2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(propylsulfanyl)propenide perchlorate, [Fe(C10H8N2)3](C10H7N4S)(ClO4), (II), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-methoxypropenide tetrafluoridoborate ethanol 0.926-solvate, [Fe(C12H12N2)3](C8H3N4O)(BF4).0.926C2H2O, (III), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-ethoxypropenide tetrafluoridoborate, [Fe(C12H12N2)3](C9H5N4O)(BF4), (IV), tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-(ethylsufanyl)propenide tetrafluoridoborate, [Fe(C12H12N2)3](C9H5N4S)(BF4), (V), and tris(5,5′-dimethyl-2,2′-bipyridine)iron(II) 1,1,3,3-tetracyano-2-propoxypropenide tetrafluoridoborate, [Fe(C12H12N2)3](C10H7N4O)(BF4), (VI). In compound (I), one of the anions is disordered over two sets of atomic sites with equal occupancies while, in the second anion, just one of the C(CN)2 units is disordered, again over two sets of atomic sites with equal occupancies: the anionic components are linked by multiple C—H⋯N hydrogen bonds to form a three-dimensional framework. In compound (II), the polynitrile anion is disordered over two sets of atomic sites with occupancies in the approximate ratio 3:1, while the perchlorate anion is disordered over three sets of atomic sites: there are C—N⋯π interactions between the cations and the polynitrile anion. The polynitrile anion in compound (III) is fully ordered, but the tetrafluoridoborate anion is disordered over two sets of atomic sites with occupancies 0.671 (4) and 0.329 (4): the cations and the tetrafluoridoborate anions are linked by C—H⋯F interactions to form an interrupted chain. Compounds (IV) and (V) are isostructural and all of the ionic components are fully ordered in both of them: the cations and tetrafluoridoborate anions are linked into C 2 2(12) chains. The polynitrile anion in compound (VI) is disordered over two sets of atomic sites with approximately equal occupancies, and here the chains formed by the cations and the tetrafluoridoborate anions are of the C 2 2(13) type. |
| Databáze: | OpenAIRE |
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