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

doi:10.1107/S2056989018012343

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)

^*Corresponding author for this work

Chemistry

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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 HPO₃pseudopyramids; 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 language	English
Pages (from-to)	1411-1416
Number of pages	5
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	74
Issue number	10
Early online date	11 Sept 2018
DOIs	https://doi.org/10.1107/S2056989018012343
Publication status	Published - 1 Oct 2018

Bibliographical note

We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collection for (I)

Keywords

zinc phosphate
ligand
template
disorder
crystal structure

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

@article{3a44bd63b4374b0097994508b8941d0a,

title = "Template or ligand?: Different structural behaviours of aromatic amines in combination with zincophosphite networks",

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.",

keywords = "zinc phosphate, ligand, template, disorder, crystal structure",

author = "William Holmes and Cordes, {David B.} and Slawin, {Alexandra M. Z.} and Harrison, {William T. A.}",

note = "We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collection for (I)",

year = "2018",

month = oct,

day = "1",

doi = "10.1107/S2056989018012343",

language = "English",

volume = "74",

pages = "1411--1416",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "2056-9890",

publisher = "International Union of Crystallography",

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T1 - Template or ligand?

T2 - Different structural behaviours of aromatic amines in combination with zincophosphite networks

AU - Holmes, William

AU - Cordes, David B.

AU - Slawin, Alexandra M. Z.

AU - Harrison, William T. A.

N1 - We thank the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collection for (I)

PY - 2018/10/1

Y1 - 2018/10/1

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.

AB - 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.

KW - zinc phosphate

KW - ligand

KW - template

KW - disorder

KW - crystal structure

U2 - 10.1107/S2056989018012343

DO - 10.1107/S2056989018012343

M3 - Article

C2 - 30319790

SN - 2056-9890

VL - 74

SP - 1411

EP - 1416

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

IS - 10

ER -