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- Title
Four‐position disorder of cationic protonated guanylurea in a stable three‐dimensional network in the structure of a triple salt decavanadate complex (HGU<sup>+</sup>)(H<sub>2</sub>Met<sup>2+</sup>)<sub>2</sub>(H<sub>3</sub>O<sup>+</sup>)(V<sub>10</sub>O<sub>28</sub><sup>6−</sup>)·8H<sub>2</sub>O
- Authors
Chatkon, Aungkana; Haller, Joseph P.; Haller, Kenneth J.
- Abstract
A triple salt of decavanadate, V10O286−, containing mixed organic guanylurea (diaminomethylideneurea cation, HGU+) and metforminium(2+) (H2Met2+) cations and hydronium (H3O+) cations, has been synthesized by heating metformin hydrochloride, picolinic acid, and sodium metavanadate in aqueous solution at pH 4 and 333 K followed by maintaining the solution at 300 K overnight to give an orange crystalline product. As commonly observed, the V10O286− anion lies on an inversion center. Charge is balanced by two H2Met2+ dications and two monocations, one HGU+ and one H3O+, substitutionally disordered about another inversion center. The HGU+ cation is further positionally disordered by rotation of 26.3 (4)° about an axis approximately along the direction of the three essentially collinear N atoms of the cation, thereby hydrogen bonding to two adjacent rows of cluster O atoms running diagonally across the equatorial plane of the V10O286− anion. The highly concerted nature of the HGU+...cluster interaction in each orientation suggests a synthon that likely preexisted in solution and perhaps, along with heat, contributes to the degradation of the metformin to HGU+. The structure of the salt exhibits a complex charge‐stabilized hydrogen‐bonded network involving extended C44(8) chains of the water molecules and the H2Met2+ cations linking the chains into two‐dimensional sheets parallel to the bc plane, and V10O286− anions linking those sheets into a three‐dimensional structure through Ow—H...O, N—H...O and C—H...O intermolecular interactions. The disordered HGU+ cation and the H3O+ cation occupy spaces with excess volume in the three‐dimensional network structure.
- Subjects
OXONIUM ions; PICOLINIC acid; INTERMOLECULAR interactions; HYDROGEN bonding; SALT; METHIONINE
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2022, Vol 78, Issue 6, p798
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520622008915