Crystal and molecular structure of tetra-μ-N-acetylglycinatodiaquodicopper(II)

✍ Scribed by M.R. Udupa; B. Krebs

• Publisher: Elsevier Science
• Year: 1979
• Tongue: English
• Weight: 374 KB
• Volume: 37
• Category: Article
• ISSN: 0020-1693
• DOI: 10.1016/s0020-1693(00)95510-5

✦ Synopsis

The crystal structure of binuclear copper(H) N-acetylglycinate monohydrate, [Cu(OOCCH,NH-COCH,),(H,O)],

was determined by threedimensional X-ray diffraction studies. The compound crystallizes in the monoclinic system with the space group P2,/C. The cell parameters are a = 7.288( ), b = 8.892(2), c = 19.473(3) 4 p = 103.04(3)', V = 1229.5 A3, Z = 4, d, = 1.695 and d, = 1.69g cmm3.

Full-matrix least-squares refinement using 2059 independent reflections has reached the R value of 0.041. i%e two copper atoms in the molecule are held together in a dimeric unit by the four carboxylate groups, and each copper atom is further bonded to a water molecule, resulting in a square pyramidal geometry. The mean Cu-O(carboxylate), Cua-(water) and CL-Cu distances are 1.971(3), 2.108(3) and 2.666(l) A, respectively. Hydrogen bonding is observed between the peptide-NH and the carboxylate groups, and the peptide-CO groups and the water molecules.