949 research outputs found
5,6-Dihydroxy-1,10-phenanthrolin-1-ium chloride dihydrate
The title compound, C12H9N2O2
+·Cl−·2H2O, exhibits a layered structure which is stabilized by intermolecular O—H⋯O, O—H⋯Cl− and N+—H⋯Cl− hydrogen bonds, and π–π interactions (centroid–centroid distances = 3.654 and 3.583 Å). The distances between the molecules are 3.371 and 3.294 Å
cis-[(7R,14R)-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N](oxalato-κ2 O,O′)nickel(II) oxalic acid solvate
Both molecules of the title compound, [Ni(C2O4)(C16H36N4)]·C2H2O4, are located on a crystallographic twofold rotation axis. The NiII atom shows a distorted octahedral geometry. The crystal packing is stabilized by N—H⋯O and O—H⋯O hydrogen bonds
Poly[[diaquabis(μ3-3-carboxylato-4-hydroxybenzenesulfonato)tri-μ2-pyrazine-tetrasilver(I)] dihydrate]
The title coordination polymer, {[Ag4(C7H4O6S)2(C4H4N2)3(H2O)2]·2H2O}n, contains two independent AgI ions. One AgI ion is coordinated by one O atom from a 3-carboxylato-4-hydroxybenzenesulfonate (L) ligand, two N atoms from two pyrazine ligands and a water molecule. The other AgI ion is coordinated by two O atoms from two L ligands and one N atom from a pyrazine ligand. One of the pyrazine ligands lies on an inversion center. The L and pyrazine ligands link the AgI ions into polymeric layers parallel to the ac plane. The layers are connected by intermolecular O—H⋯O hydrogen bonds. An intramolecular O—H⋯O hydrogen bond is also present in the L ligand
1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
In the title compound, C21H22N2O2, the mean plane of the pyrazole ring makes dihedral angles of 18.80 (12) and 77.13 (5)°, respectively, with the mean planes of the phenyl and tert-butylbenzyl rings. The carboxylate group is inclined at 8.51 (14)° with respect to the pyrazole ring. The crystal structure displays intermolecular O—H⋯O hydrogen bonding, generating centrosymmetric dimers
2,2′-Dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl]dibenzimidazole hemihydrate
The title compound, C21H22Br2N4·0.5H2O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal–organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent molecules are linked into a one-dimensional chain by π–π stacking interactions between imidazole groups of different molecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å]
(4′-Ferrocenyl-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)(1,10-phenanthroline-κ2 N,N′)copper(II) bis(perchlorate) acetonitrile solvate
The title complex, [CuFe(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3N, consists of a mononuclear [Cu(C12H8N2)(C25H19FeN3)]2+ cation, two ClO4
− anions (one of which is disordered over two positions with equal occupancy) and one CH3CN solvent molecule. The CuII center has a distorted square-pyramidal coordination with three N atoms of the 4′-ferrocenyl-2,2′:6′,2′′- terpyridine (fctpy) ligand and one 1,10-phenanthroline (phen) N atom in the basal plane and a second phen N atom in the apical position with an axial distance of 2.254 (4) Å. The disordered ClO4
− anion is weakly coordinated to the CuII ion with a Cu—O distance of 2.766 (11) Å. The two cyclopentadienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.7 (1) °, and are involved in intermolecular π–π interactions with the outer pyridyl rings of the fctpy ligands [centroid–centroid distance = 3.759 (2) Å.]
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