Abstract
The title solvated salt, C21H17N7 2+·SO4 2−·CH3OH, was obtained when we attempted to prepare the complex of ferrous sulfate and 2,6-bis[3-(pyridin-2-yl)-1H-pyrazol-1-yl]pyridine in methanol. The dihedral angles between adjacent pyridine and pyrazole rings range from 3.8 (1) to 13.4 (1)°. An intramolecular N—H⋯N hydrogen bond occurs. In the crystal, N—H⋯O and O—H⋯N hydrogen bonds between solvent methanol molecules and the cations generate zigzag chains along [110].
Highlights
C21H17N72+SO42CH3OH, The title solvated salt, was obtained when we attempted to prepare the complex of ferrous sulfate and 2,6-bis[3-(pyridin-2-yl)-1H-pyrazol-1-yl]pyridine in methanol
The dihedral angles between adjacent pyridine and pyrazole rings range from 3.8 (1) to 13.4 (1)
Helicates can be obtained by the self assembly of oligopyridine ligands with transition metal ions (Constable, 1992)
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 Å; disorder in solvent or counterion; R factor = 0.053; wR factor = 0.163; data-toparameter ratio = 12.6. C21H17N72+SO42CH3OH, The title solvated salt, was obtained when we attempted to prepare the complex of ferrous sulfate and 2,6-bis[3-(pyridin-2-yl)-1H-pyrazol-1-yl]pyridine in methanol. An intramolecular N—H N hydrogen bond occurs. N—H O and O—H N hydrogen bonds between solvent methanol molecules and the cations generate zigzag chains along [110]. Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: publCIF (Westrip, 2010)
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