APA2[Zn3(HPO4)4(H2O)2], a layered zincophosphate featuring template-to-framework N-H⋯O and "synergic" framework-to-template O-H⋯N hydrogen bonds and C-H⋯O interactions (APA = 2-Amino-1-phenyleneammonium, C6H9N2 +)

Joel C. Aughey, William T.A. Harrison, Alexandra M.Z. Slawin

Research output: Contribution to journalComment/debate

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Abstract

The crystal structure of APA2[Zn3(HPO4)4(H2O)2] (APA = 2-amino-1-phenylene-ammonium, C6H9N2+) (1), as prepared by a predominantly non-aqueous synthesis, is described and compared to related compounds. 1 is built up from an alternating array of ZnO4 and HPO4 tetrahedra sharing vertices as Zn-O-P bonds to generate infinite anionic sheets. Within these sheets, polyhedral 4-, 6- and 8-rings are apparent. The negative charge of the inorganic layer is balanced by singly-protonated APA template cations and water molecules are also present. The components are linked by Nt-H⋯Of, Of-H⋯Ow, Ow-H⋯Of and Of-H⋯Nt (t = template, f = framework, w = water) hydrogen bonds: The last of these represents an unusual framework-to-template interaction. Weak Ct-H⋯Of links may also play a role in consolidating the structure. Crystal data: 1 (C12H26N4O18P4Zn3), Mr = 834.36, monoclinic, C2/c (No. 15), Z = 4, a = 20.194 (8) Å, b = 8.682 (3) Å, c = 15.123 (6) Å, β = 91.510 (11)°, V = 2650.5 (17) Å3, R(F) = 0.048, wR(F2) = 0.112.

Original languageEnglish
Pages (from-to)1146-1154
Number of pages9
JournalCrystals
Volume2
Issue number3
Early online date16 Aug 2012
DOIs
Publication statusPublished - 16 Aug 2012

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Hydrogen bonds
templates
hydrogen bonds
Water
Ammonium Compounds
Cations
Crystal structure
Positive ions
interactions
tetrahedrons
water
Crystals
Molecules
apexes
cations
crystal structure
rings
synthesis
crystals
molecules

Keywords

  • Hydrogen bonds
  • Layered zincophosphate
  • Template

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

Cite this

@article{12f74354f89c40d4aa3d97b412cfed15,
title = "APA2[Zn3(HPO4)4(H2O)2], a layered zincophosphate featuring template-to-framework N-H⋯O and {"}synergic{"} framework-to-template O-H⋯N hydrogen bonds and C-H⋯O interactions (APA = 2-Amino-1-phenyleneammonium, C6H9N2 +)",
abstract = "The crystal structure of APA2[Zn3(HPO4)4(H2O)2] (APA = 2-amino-1-phenylene-ammonium, C6H9N2+) (1), as prepared by a predominantly non-aqueous synthesis, is described and compared to related compounds. 1 is built up from an alternating array of ZnO4 and HPO4 tetrahedra sharing vertices as Zn-O-P bonds to generate infinite anionic sheets. Within these sheets, polyhedral 4-, 6- and 8-rings are apparent. The negative charge of the inorganic layer is balanced by singly-protonated APA template cations and water molecules are also present. The components are linked by Nt-H⋯Of, Of-H⋯Ow, Ow-H⋯Of and Of-H⋯Nt (t = template, f = framework, w = water) hydrogen bonds: The last of these represents an unusual framework-to-template interaction. Weak Ct-H⋯Of links may also play a role in consolidating the structure. Crystal data: 1 (C12H26N4O18P4Zn3), Mr = 834.36, monoclinic, C2/c (No. 15), Z = 4, a = 20.194 (8) {\AA}, b = 8.682 (3) {\AA}, c = 15.123 (6) {\AA}, β = 91.510 (11)°, V = 2650.5 (17) {\AA}3, R(F) = 0.048, wR(F2) = 0.112.",
keywords = "Hydrogen bonds, Layered zincophosphate, Template",
author = "Aughey, {Joel C.} and Harrison, {William T.A.} and Slawin, {Alexandra M.Z.}",
year = "2012",
month = "8",
day = "16",
doi = "10.3390/cryst2031146",
language = "English",
volume = "2",
pages = "1146--1154",
journal = "Liquid Crystals",
issn = "0267-8292",
publisher = "TAYLOR & FRANCIS LTD",
number = "3",

}

TY - JOUR

T1 - APA2[Zn3(HPO4)4(H2O)2], a layered zincophosphate featuring template-to-framework N-H⋯O and "synergic" framework-to-template O-H⋯N hydrogen bonds and C-H⋯O interactions (APA = 2-Amino-1-phenyleneammonium, C6H9N2 +)

AU - Aughey, Joel C.

AU - Harrison, William T.A.

AU - Slawin, Alexandra M.Z.

PY - 2012/8/16

Y1 - 2012/8/16

N2 - The crystal structure of APA2[Zn3(HPO4)4(H2O)2] (APA = 2-amino-1-phenylene-ammonium, C6H9N2+) (1), as prepared by a predominantly non-aqueous synthesis, is described and compared to related compounds. 1 is built up from an alternating array of ZnO4 and HPO4 tetrahedra sharing vertices as Zn-O-P bonds to generate infinite anionic sheets. Within these sheets, polyhedral 4-, 6- and 8-rings are apparent. The negative charge of the inorganic layer is balanced by singly-protonated APA template cations and water molecules are also present. The components are linked by Nt-H⋯Of, Of-H⋯Ow, Ow-H⋯Of and Of-H⋯Nt (t = template, f = framework, w = water) hydrogen bonds: The last of these represents an unusual framework-to-template interaction. Weak Ct-H⋯Of links may also play a role in consolidating the structure. Crystal data: 1 (C12H26N4O18P4Zn3), Mr = 834.36, monoclinic, C2/c (No. 15), Z = 4, a = 20.194 (8) Å, b = 8.682 (3) Å, c = 15.123 (6) Å, β = 91.510 (11)°, V = 2650.5 (17) Å3, R(F) = 0.048, wR(F2) = 0.112.

AB - The crystal structure of APA2[Zn3(HPO4)4(H2O)2] (APA = 2-amino-1-phenylene-ammonium, C6H9N2+) (1), as prepared by a predominantly non-aqueous synthesis, is described and compared to related compounds. 1 is built up from an alternating array of ZnO4 and HPO4 tetrahedra sharing vertices as Zn-O-P bonds to generate infinite anionic sheets. Within these sheets, polyhedral 4-, 6- and 8-rings are apparent. The negative charge of the inorganic layer is balanced by singly-protonated APA template cations and water molecules are also present. The components are linked by Nt-H⋯Of, Of-H⋯Ow, Ow-H⋯Of and Of-H⋯Nt (t = template, f = framework, w = water) hydrogen bonds: The last of these represents an unusual framework-to-template interaction. Weak Ct-H⋯Of links may also play a role in consolidating the structure. Crystal data: 1 (C12H26N4O18P4Zn3), Mr = 834.36, monoclinic, C2/c (No. 15), Z = 4, a = 20.194 (8) Å, b = 8.682 (3) Å, c = 15.123 (6) Å, β = 91.510 (11)°, V = 2650.5 (17) Å3, R(F) = 0.048, wR(F2) = 0.112.

KW - Hydrogen bonds

KW - Layered zincophosphate

KW - Template

UR - http://www.scopus.com/inward/record.url?scp=84901292403&partnerID=8YFLogxK

U2 - 10.3390/cryst2031146

DO - 10.3390/cryst2031146

M3 - Comment/debate

VL - 2

SP - 1146

EP - 1154

JO - Liquid Crystals

JF - Liquid Crystals

SN - 0267-8292

IS - 3

ER -