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
2012 Crystals  
The crystal structure of APA 2 [Zn 3 (HPO 4 ) 4 (H 2 O) 2 ] (APA = 2-amino-1-phenyleneammonium, C 6 H 9 N 2 + ) (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 ZnO 4 and HPO 4 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
more » ... PA template cations and water molecules are also present. The components are linked by N t -HLO f , O f -HLO w , O w -HLO f and O f -HLN t (t = template, f = framework, w = water) hydrogen bonds: the last of these represents an unusual framework-to-template interaction. Weak C t -HLO f links may also play a role in consolidating the structure. Crystal data: 1 (C 12 H 26 N 4 O 18 P 4 Zn 3 ), M r = 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) Å 3 , R(F) = 0.048, wR(F 2 ) = 0.112.
doi:10.3390/cryst2031146 fatcat:keo5coo7sbcyxg3rcpr3v4slji