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Crystal structures of 4-amino-1,2,4-triazolidine-3,5-dione (urazine) (C2H4N4O2) and dichlorobis (4-amino-1,2,4-triazolidine-3,5-dione-N,O) copper (II) (C4H8Cl2CuN8O4)
Authors:Francesco Bigoli  Maurizio Lanfranchi  Maria Angela Pellinghelli
Institution:(1) Istituto di Chimica Generale ed Inorganica, Centra di Studio per la Strutturistica Diffrattometrlca del C.N.R., Viale delle Scienze, 43100 Parma, Italy
Abstract:Crystal structure analyses of urazine and of its adduct with CuCl2 show that this ligand can exchange interactions of stacking that cannot be defined as simple pgr-pgr interactions. The copper atoms are octahedrally coordinated by two oxygen atoms and two aminic nitrogen from chelating uraxines and two chlorine atoms. The crystals of urazine are monoclinicP21 c:a=6.741(1),b=5.815(1),c=11.141(2) Å,/gb=92.13(1)°,V c=436.4(1) Å3,Z=4,R=0.0402 for 714 independent observed reflections; the crystals of CuCl2(urazine)2] are triclinicP¯1:a=5.236(1),b=6.662(1),c=8.411(1) Å,agr=93.00(1),beta=104.87(1), ugr=105.69(1)°,V c=270.66(8) Å3,Z=1,R=0.0380 for 875 independent observed reflections.
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