metal-organic compounds
In the title mononuclear [Ni(phen)3]sq·8H2O complex [phen is 1,10-phenanthroline (C12H8N2) and sq is squarate (C4O42−)], the NiII ion has a distorted octahedral coordination geometry composed of six N atoms from three bidentate chelating phen ligands. An extensive three-dimensional network of Owater—HO, Owater—HOwater and C—HO hydrogen-bonding interactions is responsible for crystal stabilization.
metal-organic compounds
The title polymeric compound, {[Co(C4O4)(C6H6N2O)2(H2O)2]·2H2O}n, has two crystallographically independent half-molecules in the asymmetric unit, each Co atom residing on a center of symmetry. The two polymeric chains exhibit similar coordination geometry but display differences with regard to other structural features. Each CoII center is octahedrally coordinated by two mutually trans pyridine-4-carboxamide (or isonicotinamide) ligands, two mutually trans squarate ligands and two trans aqua ligands. The crystal structure contains chains of squarate-1,3-bridged CoII ions. These chains are held together by N—HO and O—HO intermolecular hydrogen-bond interactions, forming an extensive three-dimensional network.
metal-organic compounds
In the title compound, [Fe(C12H8N2)3](C4O4)·8H2O or [Fe(phen)3]sq·8H2O, where phen is 1,10-phenanthroline and sq is the squarate dianion (C4O4)2−, the FeII centre has a distorted octahedral coordination geometry comprising six N atoms from the three bidentate chelating phen ligands. An extensive three-dimensional network of Owater—HO, Owater—HOwater and C—HO hydrogen-bonding interactions is responsible for crystal stabilization.
metal-organic compounds
In the title compound, [Ni(C4H12N2O)2](C4O4)·H2O or [Ni(Hydet-en)2](Sq)·H2O, where Hydet-en is N-(2-hydroxyethyl)ethylenediamine and Sq is the squarate dianion, the NiII centre has a distorted octahedral coordination geometry comprising four amine N and two hydroxyl O atoms from two tridentate Hydet-en ligands. All the O atoms of the squarate dianion are involved in N—HO and O—HO hydrogen bonding.
organic compounds
Open access
A second monoclinic polymorph of the title compound, neocuproine dihydrate, C14H12N2·2H2O, is reported. Unlike the first polymorph [Baggio, Baggio & Mombrú (1998). Acta Cryst. C54, 1900–1902], in which the phenanthroline ring system was constrained to lie in a crystallographic mirror plane, here there is no such imposed symmetry. Consequently, the molecule shows small deviations from planarity, the outer rings being twisted slightly in opposite directions from the plane of the central ring. The hydrogen-bonding motifs remain essentially the same as in the first polymorph, involving small rings of four water molecules and large rings containing four water molecules and two neocuproine molecules, but with no H-atom disorder for the water molecules in this case. There are also aromatic π–π stacking interactions.