Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 12 (December 2003)

Acta Cryst. (2003). C59, m519-m522    [doi:10.1107/S010827010302403X]

Di--cyanato-bis[(cyanato-N)(tetramethylethylenediamine-²N,N')copper(II)] and catena-poly[[₃-cyanato-³O:N:N-bis[(cyanato-N)(1,3-diaminopropane-²N,N')copper(II)]]-₃-cyanato-³N:N:O]

J. Luo, X.-G. Zhou, L.-H. Weng and X.-F. Hou

Abstract: The two title Cu^II complexes, [Cu₂(NCO)₄(tmeda)₂] (tmeda is tetramethylethylenediamine, C₆H₁₆N₂), (I), and [Cu(NCO)₂(pn)]_n (pn is 1,3-diaminopropane, C₃H₁₀N₂), (II), have been synthesized and their crystal structures determined. In (I), which lies about an inversion centre, each Cu centre possesses a distorted tetragonal-pyramidal geometry with four basal N atoms from two cyanate anions [Cu-N = 1.945  (2) and 1.948  (3)  Å] and one tmeda molecule [Cu-N = 2.053  (2) and 2.071  (2)  Å], and one axial O atom [Cu-O = 2.737  (3)  Å] from another cyanate anion. The two neighbouring Cu atoms in (I) are joined by a pair of cyanates in an end-to-end fashion, forming a dimer. In (II), each Cu centre adopts a distorted square-bipyramidal geometry, with four equatorial N atoms from two cyanates [Cu-N = 1.988  (2) and 2.007  (3)  Å] and a pn ligand [Cu-N = 1.996  (3) and 2.011  (3)  Å], and one apical N atom [Cu-N = 2.437  (3)  Å] and an apical O atom [Cu-O = 2.900  (3)  Å] from two cyanates. In contrast with (I), the two neighbouring Cu atoms in (II) are bridged by two cyanates in an end-on fashion, to form a centrosymmetric dimeric unit. These units are further crosslinked, forming a two-dimensional network structure, via weak interactions between the bridging cyanate O atom and a neighbouring Cu atom, plus interactions of the amine H atoms with the cyanate O atoms and the terminal cyanate N atom.

Formula: [Cu₂(NCO)₄(C₆H₁₆N₂)₂] and [Cu(NCO)₂(C₃H₁₀N₂)]

Online 8 November 2003

	Structure factor file (CIF format) (100.0 kbytes) Contains datablock I
	Structure factor file (CIF format) (91.5 kbytes) Contains datablock II

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