Synthesis and Crystal Structure of the Polymorphic Isomer [Cu(dafone)_2(H_2O)_2](Hphth)_2

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The polymorphic isomer [Cu(dafone)2(H2O)2](Hphth)2 1 (dafone = 4,5- diazafluoren-9-one, phth = 1,2-benzenedicarboxyl) has been synthesized and the structure was determined by single-crystal X-ray diffraction. Crystal data: C38H26CuN4O12, monoclinic, space group P21/a with a = 11.5863(18), b = 25.512(4), c = 11.878(2) ?, β = 111.696(3)o, V = 3262.1(9) ?3, Mr = 794.17, Z = 4, Dc = 1.617 g/cm3, F(000) = 1628, μ = 0.748 mm-1, R = 0.0603 and wR = 0.1132 for 6878 observed reflections with I > 2σ(I). 1 consists of one [Cu(dafone)2(H2O)2]2+ cation and two monoprotonated 1,2-benzenedicarboxyl (Hphth) anions and forms a two-dimensional hydrogen bond network via intermolecular hydrogen bond interactions between the coordinated water molecules and carboxylato-oxygen atoms from monoprotonated benzenedicarboxyl anions. The polymorphic isomer [Cu (dafone) 2 (H2O) 2] (Hphth) 2 1 (dafone = 4,5- diazafluoren-9-one, phth = 1,2- benzenedicarboxyl) has been synthesized and the structure was determined by single Crystal X-ray diffraction. Crystal data: C38H26CuN4O12, monoclinic space group P21 / a with a = 11.5863 (18), b = 25.512 (4), c = 11.878 V = 3262.1 (9)? 3, Mr = 794.17, Z = 4, Dc = 1.617 g / cm3, F000 = 1628, μ = 0.748 mm-1, R = 0.0603 and wR = 0.1132 for 6878 observed reflections with I> 2σ (I). 1 consists of one [Cu (dafone) 2 (H2O) 2] 2+ cation and two monoprotonated 1,2-benzenedicarboxyl (Hphth) anions and forms a two-dimensional hydrogen bond network via intermolecular hydrogen bond interactions between the coordinated water molecules and carboxylato-oxygen atoms from monoprotonated benzenedicarboxyl anions.
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