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MDPI, Crystals, 3(2), p. 1146-1154, 2012

DOI: 10.3390/cryst2031146

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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 +)

Journal article published in 2012 by Joel C. Aughey, William T. A. Harrison, Alexandra M. Z. Slawin ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.