Crystal structure of(phenanthroline-N,N')-N-carbamoylmethyl-imino-diacetato-copper(II)dihydrate,[Cu(C6H8N2)(C12H8N2)]·2H2O

M.-Q. Cheng, L.-F. Ma, L.-Y. Wang
2006 Zeitschrift für Kristallographie - New Crystal Structures  
C18H20C11N4O7, monoclinic, P12i/cl (no. 14), a = 8.802(1) Κ b = 22.493(3) A, c = 9.885(1)Ä,y3 = 97.163(2)°, V= 1941.8 A* Ζ = 4, Rgf(F) = 0.033, wR K i(r) = 0.096, Τ = 291 Κ. Source of material The mixture of Cu(CH 3 COO)2 · 5H 2 0 (0.5 mmol, 0.100 g) and H2ADA (1 mmol, 0.190 g; H2NCOCH2N(CH 2 COOH)2, ΛΓ-carbamoylmethyl-iminodiacetic acid or named #-(2-acetamido)iminodiacetic acid) was stirred into 6 mL 50 % methanolic solution at room temperature, which was refluxed about 20 min. Then the pH
more » ... min. Then the pH was adjusted to approximately 6 with NaOH solid, and 4 mL 50 % methanolic solution of 1,10 phenanthroline (0.5 mmol, 0.100 g) was added. The reaction mixture was heated on a water bath for 6 h at 60 °C and then filtered. The blue prismatic crystal was separated from the mother liquor by slow evaporation at room temperature after one week (yield 0.158 g, 65 %). Experimental details The water Η atoms were freely refined due to their importance in the hydrogen bonding. The other Η atoms were added geometrically and refined using rigid body approximation.
doi:10.1524/ncrs.2006.221.14.369 fatcat:j34wuhtwkvg3hjik5nmfmj7hqe