Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks

William Holmes, David B. Cordes, Alexandra M. Z. Slawin, William T. A. Harrison (Corresponding Author)

Research output: Contribution to journalArticle

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Abstract

The solution-mediated syntheses and crystal structures of catena-poly[bis­(2-amino-3-hy­droxy­pyridinium) [zinc-di-μ-phospho­nato] dihydrate], {(C5H7N2O)[Zn(HPO3)2]·2H2O}n, (I), and poly[(benzene-1,2-di­amine)(μ5-phospho­nato)zinc], [Zn(HPO3)(C6H8N2)]n, (II) are described. The extended structure of (I) features [010] anionic chains of vertex-sharing ZnO4 tetra­hedra and HPO3 pseudopyramids; these chains are characterized by disorder over major [occupancy 0.7962 (13)] and minor [0.2038 (13)] components, which can be superimposed on each other by a nominal translational shift. The 2-amino-3-hy­droxy­pyridinium cations and water mol­ecules of crystallization inter­act with the ZnPO chains by way of numerous O—H⋯O and N—H⋯O hydrogen bonds. The structure of (II) features a direct Zn—N bond to the neutral 1,2-di­amino­benzene species as part of ZnO3N tetra­hedra as well as HPO3 pseudopyramids. The Zn- and P-centred groupings are linked through their O-atom vertices into infinite (010) sheets and the structure is consolidated by N—H⋯O hydrogen bonds and N—H⋯π inter­actions. The crystal of (I) chosen for data collection was found to be an inversion twin in a 0.56 (2):0.44 (2) domain ratio.
Original languageEnglish
Pages (from-to)1411-1416
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
Issue number10
Early online date11 Sep 2018
DOIs
Publication statusPublished - 1 Oct 2018

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Amines
Zinc
Hydrogen bonds
amines
templates
Ligands
Poly I
tetrahedrons
ligands
Diamines
apexes
Crystallization
zinc
Benzene
hydrogen bonds
Cations
Crystal structure
Positive ions
diamines
Atoms

Keywords

  • zinc phosphate
  • ligand
  • template
  • disorder
  • crystal structure

Cite this

Template or ligand? Different structural behaviours of aromatic amines in combination with zincophosphite networks. / Holmes, William; Cordes, David B.; Slawin, Alexandra M. Z.; Harrison, William T. A. (Corresponding Author).

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 74, No. 10, 01.10.2018, p. 1411-1416.

Research output: Contribution to journalArticle

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AU - Harrison, William T. A.

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N2 - The solution-mediated syntheses and crystal structures of catena-poly[bis­(2-amino-3-hy­droxy­pyridinium) [zinc-di-μ-phospho­nato] dihydrate], {(C5H7N2O)[Zn(HPO3)2]·2H2O}n, (I), and poly[(benzene-1,2-di­amine)(μ5-phospho­nato)zinc], [Zn(HPO3)(C6H8N2)]n, (II) are described. The extended structure of (I) features [010] anionic chains of vertex-sharing ZnO4 tetra­hedra and HPO3 pseudopyramids; these chains are characterized by disorder over major [occupancy 0.7962 (13)] and minor [0.2038 (13)] components, which can be superimposed on each other by a nominal translational shift. The 2-amino-3-hy­droxy­pyridinium cations and water mol­ecules of crystallization inter­act with the ZnPO chains by way of numerous O—H⋯O and N—H⋯O hydrogen bonds. The structure of (II) features a direct Zn—N bond to the neutral 1,2-di­amino­benzene species as part of ZnO3N tetra­hedra as well as HPO3 pseudopyramids. The Zn- and P-centred groupings are linked through their O-atom vertices into infinite (010) sheets and the structure is consolidated by N—H⋯O hydrogen bonds and N—H⋯π inter­actions. The crystal of (I) chosen for data collection was found to be an inversion twin in a 0.56 (2):0.44 (2) domain ratio.

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KW - crystal structure

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JO - Acta Crystallographica Section E: Crystallographic Communications

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