Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate
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In the title compound, [Fe(C8H7N3)(H2O)(4)]SO4, the central Fe-II ion is octahedrally coordinated by two N atoms from the bidentate 2-(pyridin-2-yl)-1H-imidazole ligand and by four O atoms of the aqua ligands. The largest deviation from the ideal octahedral geometry is reflected by the small N-Fe-N bite angle of 76.0 (1)degrees. The Fe-N coordination bonds have markedly different lengths [2.1361 (17) and 2.243 (2) angstrom], with the shorter one to the pyrimidine N atom. The four Fe-O coordination bond lengths vary from 2.1191 (18) to 2.1340 (17) angstrom. In the crystal, the cations and anions are arranged by means of medium-strength O-H center dot center dot center dot O hydrogen bonds into layers parallel to the ab plane. Neighbouring layers further interconnect by N-H center dot center dot center dot O hydrogen bonds involving the imidazole fragment as donor group to one sulfate O atom as an acceptor. The resulting three-dimensional network is consolidated by C-H center dot center ...dot center dot O, C-H center dot center dot center dot pi and pi-pi interactions.
Ključne reči:
crystal structure / 2-(pyridin-2-yl)-1H-imidazole / iron(II) complex / hydrogen bonding / C-H center dot center dot center dot pi interactions / pi-pi interactionsIzvor:
Acta Crystallographica. Section E: Crystallographic Communications, 2015, 71, 346-+Finansiranje / projekti:
- Dizajniranje, sinteza, karakterizacija i procena praktične primene koordinacionih i organometalnih jedinjenja (RS-MESTD-Basic Research (BR or ON)-172014)
- Racionalni dizajn i sinteza biološki aktivnih i koordinacionih jedinjenja i funkcionalnih materijala, relevantnih u (bio)nanotehnologiji (RS-MESTD-Basic Research (BR or ON)-172035)
DOI: 10.1107/S2056989015004417
ISSN: 2056-9890
PubMed: 26029386
WoS: 000369975800047
Scopus: 2-s2.0-84928160541
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VinčaTY - JOUR AU - Setifi, Zouaoui AU - Setifi, Fatima AU - Francuski, Bojana M. AU - Novaković, Slađana B. AU - Merazig, Hocine PY - 2015 UR - https://vinar.vin.bg.ac.rs/handle/123456789/936 AB - In the title compound, [Fe(C8H7N3)(H2O)(4)]SO4, the central Fe-II ion is octahedrally coordinated by two N atoms from the bidentate 2-(pyridin-2-yl)-1H-imidazole ligand and by four O atoms of the aqua ligands. The largest deviation from the ideal octahedral geometry is reflected by the small N-Fe-N bite angle of 76.0 (1)degrees. The Fe-N coordination bonds have markedly different lengths [2.1361 (17) and 2.243 (2) angstrom], with the shorter one to the pyrimidine N atom. The four Fe-O coordination bond lengths vary from 2.1191 (18) to 2.1340 (17) angstrom. In the crystal, the cations and anions are arranged by means of medium-strength O-H center dot center dot center dot O hydrogen bonds into layers parallel to the ab plane. Neighbouring layers further interconnect by N-H center dot center dot center dot O hydrogen bonds involving the imidazole fragment as donor group to one sulfate O atom as an acceptor. The resulting three-dimensional network is consolidated by C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi-pi interactions. T2 - Acta Crystallographica. Section E: Crystallographic Communications T1 - Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate VL - 71 SP - 346 EP - + DO - 10.1107/S2056989015004417 ER -
@article{ author = "Setifi, Zouaoui and Setifi, Fatima and Francuski, Bojana M. and Novaković, Slađana B. and Merazig, Hocine", year = "2015", abstract = "In the title compound, [Fe(C8H7N3)(H2O)(4)]SO4, the central Fe-II ion is octahedrally coordinated by two N atoms from the bidentate 2-(pyridin-2-yl)-1H-imidazole ligand and by four O atoms of the aqua ligands. The largest deviation from the ideal octahedral geometry is reflected by the small N-Fe-N bite angle of 76.0 (1)degrees. The Fe-N coordination bonds have markedly different lengths [2.1361 (17) and 2.243 (2) angstrom], with the shorter one to the pyrimidine N atom. The four Fe-O coordination bond lengths vary from 2.1191 (18) to 2.1340 (17) angstrom. In the crystal, the cations and anions are arranged by means of medium-strength O-H center dot center dot center dot O hydrogen bonds into layers parallel to the ab plane. Neighbouring layers further interconnect by N-H center dot center dot center dot O hydrogen bonds involving the imidazole fragment as donor group to one sulfate O atom as an acceptor. The resulting three-dimensional network is consolidated by C-H center dot center dot center dot O, C-H center dot center dot center dot pi and pi-pi interactions.", journal = "Acta Crystallographica. Section E: Crystallographic Communications", title = "Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate", volume = "71", pages = "346-+", doi = "10.1107/S2056989015004417" }
Setifi, Z., Setifi, F., Francuski, B. M., Novaković, S. B.,& Merazig, H.. (2015). Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate. in Acta Crystallographica. Section E: Crystallographic Communications, 71, 346-+. https://doi.org/10.1107/S2056989015004417
Setifi Z, Setifi F, Francuski BM, Novaković SB, Merazig H. Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate. in Acta Crystallographica. Section E: Crystallographic Communications. 2015;71:346-+. doi:10.1107/S2056989015004417 .
Setifi, Zouaoui, Setifi, Fatima, Francuski, Bojana M., Novaković, Slađana B., Merazig, Hocine, "Crystal structure of tetraaqua[2-(pyridin-2-yl)-1H-imidazole-kappa N-2(2),N-3]iron(II) sulfate" in Acta Crystallographica. Section E: Crystallographic Communications, 71 (2015):346-+, https://doi.org/10.1107/S2056989015004417 . .