Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 11 (November 2006)


metal-organic compounds



ob3022 scheme

Acta Cryst. (2006). C62, m527-m530    [ doi:10.1107/S0108270106039072 ]

Bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II) and catena-poly[[di-[mu]-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1yl)methane]cadmium(II)}]-di-[mu]-dicyanamidato]

Q.-Y. Li, H.-X. Li, X.-Y. Tang, Z. Yong and J.-P. Lang

Abstract: The Cd atom in bis[bis(3,5-dimethylpyrazol-1-yl)methane]bis(isothiocyanato)cadmium(II), [Cd(NCS)2(C11H16N4)2], is octahedrally coordinated by four N atoms from two bis(3,5-dimethylpyrazolyl)methane (dmpzm) ligands and two isothiocyanate ligands. The molecule has a crystallographic center of symmetry located at the Cd atom. There are two intramolecular C-H...N interactions, each of which is formed between the methylene group of a dmpzm ligand and the N atom of an isothiocyanate ligand. On the other hand, in catena-poly[[di-[mu]-dicyanamidato-bis{[bis(3,5-dimethylpyrazol-1-yl)methane]cadmium(II)}]-di-[mu]-dicyanamidato], [Cd2(C2N3)4(C11H16N4)2]n, each Cd atom is octahedrally coordinated by two N atoms from one dmpzm ligand and four N atoms from four bridging dicyanamide (dca) anions. Two Cd atoms are bridged by a pair of dca anions, forming a dimeric [Cd2([mu]-dca)2(dmpzm)2] unit. Another two pairs of dca anions further link this unit with neighboring units to form a brick-wall layer parallel to (100). A C-H...N interaction between the methylene group of one dmpzm ligand in one layer and a coordinating N atom of a dca ligand in an adjacent layer completes a three-dimensional network.

Formula: [Cd(NCS)2(C11H16N4)2] and [Cd2(C2N3)4(C11H16N4)2]


hkldisplay filedownload file

Structure factor file (CIF format) (129.9 kbytes)
[ doi:10.1107/S0108270106039072/ob3022Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (423.8 kbytes)
[ doi:10.1107/S0108270106039072/ob3022IIsup3.hkl ]
Contains datablock II


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