Control of open-framework structures through template⋯template interactions? Syntheses and structures of C2H7N4O⋅ZnCl(HPO4) and (C2H7N4O)2⋅Zn3(H2O)(HPO3)4

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The syntheses and structures of C2H7N4O⋅ZnCl(HPO4) and (C2H7N4O)2⋅Zn3(H2O)(HPO3)4 are reported. Both phases arose in solution mediated reactions by way of the controlled, in situ, preparation of the cationic [C2H7N4O]+ guanylurea template by the slow hydrolysis of the neutral 2-cyanoguanidine starting material. C2H7N4O⋅ZnCl(HPO4) contains anionic [ZnCl(HPO4)] 63-topology polyhedral layers built up from vertex-sharing ZnO3Cl and HPO4 polyhedra. (C2H7N4O)2⋅Zn3(H2O)(HPO3)4 is also layered and contains ZnO4, ZnO3(H2O) and HPO3 polyhedra sharing vertices by way of ZnOP bonds. In both structures, the guanylurea template participates in numerous template-to-framework and also template-to-template hydrogen bonds. Strikingly, the arrangement of template-to-template H bonds is different in the two structures, and also different to that seen earlier in C2H7N4O⋅ZnPO4. Crystal data: C2H7N4O⋅ZnCl(HPO4),Mr=299.91, monoclinic, Cc (No. 9), a=4.8823(2) Åb=25.4781(11) Åc=8.0335(4) Å,β=105.496(1)°V=962.98(7) Å3Z=4. (C2H7N4O)2⋅Zn3(H2O)(HPO3)4Mr=740.27, triclinic,  (No. 2), a=9.0022(5) Åb=9.5211(5) Åc=13.4933(7) Åα=94.986(1)°,β=94.111(1)°γ=99.051(1)°V=1133.51(1) Å3Z=2.

Original languageEnglish
Pages (from-to)371-378
Number of pages8
JournalSolid State Sciences
Issue number3-4
Publication statusPublished - Mar 2006


  • phosphate
  • zincophosphite
  • solids

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