Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 7 (July 2003)

Acta Cryst. (2003). C59, m294-m298 [doi:10.1107/S0108270102023247]

Copper(II) complexes of pentadentate 17-membered macrocyclic diamidodiamines with N, O or S as additional donors

G. G. Herman, W. Lippens, A. M. Goeminne, M. Steenland and N. M. Blaton

Abstract: The crystal structures of (2,6-dioxo-1,4,7,11,14-pentaazacycloheptadecanato)copper(II) tetrahydrate, [Cu(C₁₂H₂₃N₅O₂)]·4H₂O, (I), (3,16-dioxo-1-oxa-4,8,11,15-tetraazacycloheptadecanato)copper(II) pentahydrate, [Cu(C₁₂H₂₂N₄O₃)]·5H₂O, (II), and (3,16-dioxo-1-thia-4,8,11,15-tetraazacycloheptadecanato)copper(II) trihydrate, [Cu(C₁₂H₂₂N₄O₂S)]·3H₂O, (III), are reported. The coordination geometry in each case is approximately square pyramidal with two amine groups and two deprotonated amide groups in the basal plane. The apical position is occupied by an amine group, an ether O atom or a thio S atom. Trigonal distortion increases in the sequence S < O < N as apical donor. The relation between the distortion in the basal plane of the complexes and the maxima in their electronic spectra is discussed.

Formula: [Cu(C₁₂H₂₃N₅O₂)]·4H₂O, [Cu(C₁₂H₂₂N₄O₃)]·5H₂O and [Cu(C₁₂H₂₂N₄O₂S)]·3H₂O

Online 30 June 2003


	Structure factor file (CIF format) (89.5 kbytes) Contains datablock I

	Structure factor file (CIF format) (145.2 kbytes) Contains datablock II

	Structure factor file (CIF format) (74.2 kbytes) Contains datablock III

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