Acta Crystallographica Section C

Structural Chemistry

Volume 70, Part 3 (March 2014)


metal-organic compounds



ov3046 scheme

Acta Cryst. (2014). C70, 272-276    [ doi:10.1107/S2053229614002046 ]

Cobalt(II) chloride complexes with 1,1'-dimethyl-4,4'-bi­pyrazole featuring first- and second-sphere coordination of the ligand

K. V. Domasevitch

Abstract: In catena-poly[[di­chlorido­cobalt(II)]-[mu]-(1,1'-dimethyl-4,4'-bi­pyrazole-[kappa]2N2:N2')], [CoCl2(C8H10N4)]n, (1), two independent bi­pyrazole ligands (Me2bpz) are situated across centres of inversion and in tetra­aqua­bis­(1,1'-dimethyl-4,4'-bi­pyrazole-[kappa]N2)cobalt(II) dichloride-1,1'-dimethyl-4,4'-bi­pyrazole-water (1/2/2), [Co(C8H10N4)2(H2O)4]Cl2·2C8H10N4·2H2O, (2), the Co2+ cation lies on an inversion centre and two noncoordinated Me2bpz mol­ecules are also situated across centres of inversion. The compounds are the first complexes involving N,N'-disubstituted 4,4'-bi­pyrazole tectons. They reveal a relatively poor coordination ability of the ligand, resulting in a Co-pyrazole coordination ratio of only 1:2. Compound (1) adopts a zigzag chain structure with bitopic Me2bpz links between tetra­hedral CoII ions. Inter­chain inter­actions occur by means of very weak C-H...Cl hydrogen bonding. Complex (2) comprises discrete octa­hedral trans-[Co(Me2bpz)2(H2O)4]2+ cations formed by monodentate Me2bpz ligands. Two equivalents of additional noncoordinated Me2bpz tectons are important as `second-sphere ligands' connecting the cations by means of relatively strong O-H...N hydrogen bonding with generation of doubly inter­penetrated pcu ([alpha]-Po) frameworks. Noncoordinated chloride anions and solvent water mol­ecules afford hydrogen-bonded [(Cl-)2(H2O)2] rhombs, which establish topological links between the above frameworks, producing a rare eight-coordinated uninodal net of {424.5.63} (ilc) topology.

CCDC references: 984056 and 984057

Formula: [CoCl2(C8H10N4)] and an analogue

Keywords: crystal structure; cobalt(II) chloride complexes; hydrogen bonding; 1,1'-dimethyl-4,4'-bi­pyrazole; ilc net; second-sphere coordination.


hkldisplay filedownload file

Structure factor file (CIF format) (132.9 kbytes)
[ doi:10.1107/S2053229614002046/ov30461sup2.hkl ]
Contains datablock 1


hkldisplay filedownload file

Structure factor file (CIF format) (235.4 kbytes)
[ doi:10.1107/S2053229614002046/ov30462sup3.hkl ]
Contains datablock 2


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