Uebler Jacob W, Laduca Robert L
Lyman Briggs College, Department of Chemistry, Michigan State University, East Lansing, MI 48825, USA.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m867. doi: 10.1107/S1600536812024105. Epub 2012 Jun 2.
In the title compound, [Co(NCS)₂(C₁₁H₉N₃O)₂(H₂O)₂], the octa-hedrally coordinated Co(II) ion lies on a crystallographic inversion center and is bound by two isothio-cyanate ligands, two aqua ligands and two N-(pyridin-4-yl)isonicotinamide (4-pina) ligands. The dihedral angle between the aromatic rings in the 4-pina ligand is 8.98 (11)°. In the crystal, the individual mol-ecular units are aggregated in three dimensions by O-H⋯N, O-H⋯S and N-H⋯S hydrogen-bonding pathways.
在标题化合物[Co(NCS)₂(C₁₁H₉N₃O)₂(H₂O)₂]中,八面体配位的Co(II)离子位于一个晶体学反演中心上,由两个异硫氰酸酯配体、两个水配体和两个N-(吡啶-4-基)异烟酰胺(4-pina)配体配位。4-pina配体中芳环之间的二面角为8.98 (11)°。在晶体中,各个分子单元通过O—H⋯N、O—H⋯S和N—H⋯S氢键作用在三维空间中聚集。