A comparative study of crystal structure of a Cu(II) dicyanamide compound determined independently from X-ray powder- and single-crystal analyses

Abstract

Abstract The dicyanamido diethelenetriamine copper (II) compound, C8H13CuN9 (I), has been synthesized, and structurally characterized independently using X-ray powder- and single-crystal diffraction data. The direct methods program package EXPO-2004 has been used for structure solution from laboratory powder diffraction data. Intermolecular N—H···N hydrogen bonds in (I) generate R2 2(16) rings, which are fused forming molecular columns propagating along the [100] direction. Further linking of parallel columns through N—H···N hydrogen bonds results into a three-dimensional supramolecular network.