Full paper/Me ´moire Synthesis, crystal structure and thermal decomposition of Cu(II), Co(II), Mn(II) complexes with hetero-ligands containing cysteic acid, 4,4'-dimethyl-2,2'-bipyridine and azide

Full paper/Me ´moire Synthesis, structures and magnetic properties of dimeric copper and trimeric cobalt complexes supported by bridging cinnamate and chelating phenanthroline Synthe`se, structures et proprie´te´s magne´tiques d'un dime`re de cuivre et d'un trime`re de cobalt ponte´par l'acide cinnamique et che´late´par la phenanthroline

The title mol­ecule, [Cu(C12H8N2)2(H2O)](NO3)2, is a new polymorph of a compound which up to now has been reported to crystallize space groups in C2/c and Cc. The crystal studied was twinned by non-merohedry (final BASF factor of 0.40043) with the structure being solved and refined in P-1. The CuII atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and an O atom from a water mol­ecule in an approximate trigonal–bipyramidal geometry. Discrete entities of one cation and two nitrate anions are formed by water–nitrate O—H⋯O hydrogen bonds. The components are further assembled into a three-dimensional network by C—H⋯O hydrogen bonds.

Key indicators: single-crystal X-ray study; T = 296 K; mean (C-C) = 0.002 Å; R factor = 0.030; wR factor = 0.083; data-to-parameter ratio = 19.9.The title compound, {[Co(C 10 H 8 N 2 ) 2 (H 2 O) 2 ](NO 3 ) 2 Á4H 2 O} n , (C 10 H 8 N 2 = 4,4 0 -bipyridine = 4,4 0 -bpy) is a layered coordination polymer built up from a cationic square grid extending in (101) enclosing uncoordinating nitrate ions and water molecules. The Co II ion has site symmetry 2 and one of the 4,4 0 -bpy ligands is generated by twofold symmetry [two N atoms and two C atoms lie on the rotation axis and the dihedral angle between the pyridine rings is 45.66 (5) ]. The other 4,4 0 -bpy ligand is generated by a crystallographic inversion center. The Co II ion exhibits a slightly distorted octahedral coordination geometry defined by two O atoms of two coordinating water molecules and four N atoms from four bridging 4,4 0 -bpy ligands. The structure is consolidated by O-HÁ Á ÁO, C-HÁ Á ÁO and C-HÁ Á ÁN hydrogen bonds. Related literature ExperimentalCrystal data [Co(C 10 independent and constrained refinement Á max = 0.41 e Å À3

The title compound, C8H8NO4 +·NO3 −·H2O, crystallizes in the same space group (P21/c) as the previously reported dihydrate form [Liang & Zhu (2010). Acta Cryst. E66, o667], but with two formula units per asymmetric unit instead of one. In the crystal, the components are linked into a three-dimensional network by classical intermolecular O—H...O and N—H...O hydrogen bonds and π–π stacking interactions. A Hirshfeld surface (HS) analysis indicated that the most important contributions to the crystal packing are from H...O/O...H (52.4%), H...H (13.9%) and C...C (11.2%) for one cation and H...O/O...H (46.3%), H...H (20%) and O...C/C...O (10.6%) for the other.