In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 74, No. 7 ( 2018-07-01), p. 918-925
Abstract:
The solid-state structures of the Na + , Li + , and NH 4 + salts of the 4,5-dihydroxybenzene-1,3-disulfonate (tiron) dianion are reported, namely disodium 4,5-dihydroxybenzene-1,3-disulfonate, 2Na + ·C 6 H 4 O 8 S 2 2− , μ-4,5-dihydroxybenzene-1,3-disulfonato-bis[aqualithium(I)] hemihydrate, [Li 2 (C 6 H 4 O 8 S 2 )(H 2 O) 2 ]·0.5H 2 O, and diammonium 4,5-dihydroxybenzene-1,3-disulfonate monohydrate, 2NH 4 + ·C 6 H 4 O 8 S 2 2− ·H 2 O. Intermolecular interactions vary with the size of the cation, and the asymmetric unit cell, and the macromolecular features are also affected. The sodium in Na 2 (tiron) is coordinated in a distorted octahedral environment through the sulfonate oxygen and hydroxyl oxygen donors on tiron, as well as an interstitial water molecule. Lithium, with its smaller ionic radius, is coordinated in a distorted tetrahedral environment by sulfonic and phenolic O atoms, as well as water in Li 2 (tiron). The surrounding tiron anions coordinating to sodium or lithium in Na 2 (tiron) and Li 2 (tiron), respectively, result in a three-dimensional network held together by the coordinate bonds to the alkali metal cations. The formation of such a three-dimensional network for tiron salts is relatively rare and has not been observed with monovalent cations. Finally, (NH 4 ) 2 (tiron) exhibits extensive hydrogen-bonding arrays between NH 4 + and the surrounding tiron anions and interstitial water molecules. This series of structures may be valuable for understanding charge transfer in a putative solid-state fuel cell utilizing tiron.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989018008009
DOI:
10.1107/S2056989018008009/zl2730sup1.cif
DOI:
10.1107/S2056989018008009/zl2730NaTironsup2.hkl
DOI:
10.1107/S2056989018008009/zl2730NH4Tironsup3.hkl
DOI:
10.1107/S2056989018008009/zl2730LiTironsup4.hkl
DOI:
10.1107/S2056989018008009/zl2730NaTironsup5.cdx
DOI:
10.1107/S2056989018008009/zl2730NH4Tironsup6.cdx
DOI:
10.1107/S2056989018008009/zl2730LiTironsup7.cdx
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2018
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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