In the title compound, [V(C7H3NO4)O(C10H8N2)]·C2H5OH, the VIV atom exhibits a distorted octahedral coordination environment formed by two pyridyl N atoms of 2,2′-bipyridine (bpy), the vanadyl O atom, and two carboxylate O atoms and one pyridyl N atom of the tridentate pyridine-2,6-dicarboxylate (pydc2−) ligand. The pyridyl N atom of the pydc2− anion and one pyridyl N atom of bpy occupy the axial positions. O—H⋯O hydrogen bonds involving the ethanol solvent molecule as donor and a carboxylate O atom as acceptor atoms, as well as C—H⋯O hydrogen bonds, together with π–π stacking interactions between adjacent aromatic rings (average centroid–centroid distance = 3.577 Å), seem to be effective in the stabilization of the crystal packing, resulting in the formation of a three-dimensional structure.
In the title compound, (C10H10NO)2[Ni(C7H3NO4)2]·CH3OH·H2O, the coordination geometry of the NiII atom can be described as distorted octahedral. In the crystal, noncovalent interactions play an important role in the stabilization of the structure, involving O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds and π–π stacking interactions between the pyridine rings of the pyridine-2,6-dicarboxylate ligands [centroid–centroid distance = 3.7138 (15) Å] and between the 8-hydroxy-2-methylquinolinium cations [centroid–centroid distances = 3.6737 (15), 3.4434 (14), 3.6743 (15), 3.7541 (16), 3.5020 (15) and 3.7947 (15) Å].
In the title compound, [RuCl(C15H11N3)(C12H8N2O4)]ClO4·C2H5OH·H2O, the geometry of the ClN5 coordination set around the RuII atom is close to octahedral, but distorted on account of the limited bite angles of the polypyridyl ligands. The complexes are linked by O—H⋯O hydrogen bonds between the carboxyl groups and the crystal lattice water molecules into chains along . Face-to-face stacking interactions are formed between terpyridine ligands, with interplanar separations of 3.66 (1) and 3.42 (1) Å, and between bipyridine-4,4′-dicarboxylic acid ligands, with interplanar separations of 3.65 (1) and 3.72 (1) Å. Three O atoms of the perchlorate ion are each disordered equally over two positions. The hydroxy group of the ethanol molecule is also disordered over two sites with refined occupancies of 0.794 (9) and 0.206 (9).
The title compound, [Co(C4H7N2O2)2Cl(C8H9NO2)]·CHCl3, was synthesized as a model complex of vitamin B12. The CoIII cation displays an approximately octahedral coordination environment, being displaced by 0.0240 (15) Å from the mean plane of the four N atoms of the equatorial plane. The O—H distances in the dimethylglyoximate hydroxy groups are 0.89 (6) and 1.14 (6) Å; such long O—H bonds are very common in cobaloxime derivatives. Weak classical O—H⋯N and non-classical C—H⋯Cl hydrogen-bonding interactions further consolidate the crystal packing.
The Zn atom in the title salt, [ZnCl(C12H8N2)2(H2O)]Cl·C3H7NO, is chelated by two phenanthroline molecules and is bonded to one chloride ion and one water molecule, resulting in a ZnN4ClO octahedral coordination environment with the Cl and O atoms in a cis conformation. The cations and anions are linked by O—H⋯Cl hydrogen bonds across a center of inversion, forming a hydrogen-bonded dimeric association. The dimethylformamide solvent molecule is disordered over two orientations in a 0.56 (1):0.44 (1) ratio.
In the title compound, [V(C15H11O2)2O(CH3OH)]·2CH3OH, the VIV atom is coordinated by two 1,3-diphenylpropane-1,3-dionate ligands and an oxide ligand in an axial position. The sixth position is occupied by the O atom of a methanol group bonded trans to the oxide atom. The octahedral geometry is significantly distorted, with the VIV atom lying 0.330 (3) Å above the equatorial plane formed by the O atoms of the two β-diketonate ligands. In the crystal, O—H⋯O hydrogen bonds between the coordinating methanol group in the complex and the two methanol solvent molecules lead to the formation of polymeric chains along the c-axis direction. Weak C—H⋯O contacts are also observed.
The VV atom in the title compound, [V(C8H9N2O)(C17H14N2O3)O]·CH3OH, is N,O-chelated by the benzoylhydrazidate anion and O,N,O′-chelated by the (benzoylhydrazono)propionate dianion. The octahedral trans-N2O4 coordination geometry is completed by the vanadyl O atom. Two mononuclear complexes and two solvent molecules are linked by O—H⋯O and O—H⋯N hydrogen bonds, generating a centrosymmetric aggregate.
The VV atom in the title compound, [V(C7H6ClN2O)(C16H11ClN2O3)O]·CH3OH, is N,O-chelated by the benzoylhydrazidate anion and O,N,O′-chelated by the (benzoylhydrazinylidene)propionate dianion. The distorted octahedral trans-N2O4 coordination geometry is completed by the vanadyl O atom. The mononuclear and solvent molecules are linked by N—H⋯O and O—H⋯O hydrogen bonds about a center of inversion, generating a dimer.
In the title complex, [Co(C4H7N2O2)2Cl(C6H7N)]·0.5H2O, the central CoIII ion, chelated by four N atoms of the two bidenate glyoximate ligands, exhibits a slightly distorted octahedral geometry. The axial positions are occupied by a chloride ion and the 4-methylpyridine N atom. Intermolecular O—H⋯O hydrogen bonds link the molecules in the crystal via the water molecules, while the glyoximate ligands exhibit intramolecular O—H⋯O hydrogen bonds.
The title compound, (C10H10NO)2[Cu(C7H3NO4)2]·CH3OH·H2O was prepared by the reaction of copper(II) nitrate hexahydrate, 8-hydroxy-2-methylquinoline, and pyridine-2,6-dicarboxylic acid in a 1:2:2 molar ratio in an aqueous solution. The geometry of the resulting CuN2O4 coordination can be described as distorted octahedral. In the crystal, there are several intermolecular O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. An intramolecular N—H⋯O hydrogen bond occurs in one of the cations. Considerable π–π stacking interactions are also observed between the aromatic rings of the cations, with centroid–centroid distances of 3.4567 (13), 3.5342 (14), 3.6941 (14) and 3.4568 (13) Å. These non-covalent interactions connect the components, forming a three-dimensional supramolecular structure.
In the title compound, [InCl3(C12H12N2)(CH3OH)]·CH3OH, the InIII atom is six-coordinated in a distorted octahedral geometry by two N atoms from a chelating 4,4′-dimethyl-2,2′-bipyridine ligand, one O atom from a methanol molecule and three Cl atoms. In the crystal, intermolecular O—H⋯O and O—H⋯Cl hydrogen bonds link the complex and solvent methanol molecules. Intramolecular C—H⋯Cl hydrogen bonds are also present in the complex.
In the title compound, [Mn(C14H19N2O2)2Cl(H2O)]·H2O, the MnIII atom is N,O-chelated by two monoanionic Schiff bases, forming two six-membered chelate rings. One Cl atom and one water molecule in trans positions complete a distorted octahedral geometry around the metal atom. In the crystal, the complex molecules and the uncoordinated water molecules are connected via O—H⋯N, O—H⋯O and O—H⋯Cl hydrogen bonds into layers parallel to the ac plane and these are consolidated by C—H⋯π interactions. The layers are further linked into a three-dimensional network through C—H⋯O interactions.
In the title complex, [PtCl2(C10H8N2)2]Cl2·H2O, the Pt4+ ion is six-coordinated in a distorted octahedral environment by four N atoms from the two 2,2′-bipyridine ligands and two Cl atoms. As a result of the different trans influences of the N and Cl atoms, the Pt—N bonds trans to the Cl atom are slightly longer than those trans to the N atom. The compound displays intermolecular hydrogen bonding between the water molecule and the Cl anions. There are intermolecular π–π interactions between adjacent pyridine rings, with a centroid–centroid distance of 3.962 Å.
The title compound, [V2(C13H16N3O3)2O4]·2C2H6OS, is a centrosymmetric dimeric complex solvated by two dimethyl sulfoxide molecules. Each VV atom is six-coordinated by one oxide group, two N atoms and one O atom from the tridentate Schiff base ligand, and by two additional bridging O atoms in a distorted octahedral coordination geometry. Three atoms of the cyclohexane ring are each disordered over two sites, with occupancy factors of 0.501 (10) and 0.499 (10). C—H⋯O and N—H⋯O hydrogen bonds link the dimers and solvent molecules into a supramolecular network.
The title compound, [Fe(C6H4N5)2Cl(H2O)], was synthesized by hydrothermal reaction of FeCl3 with 2-(1H-tetrazol-5-yl)pyridine. The iron(III) metal centre exhibits a distorted octahedral coordination geometry provided by four N atoms from two bidentate organic ligands, one water O atom and one chloride anion. The pyridine and tetrazole rings are nearly coplanar [dihedral angles = 4.32 (15) and 5.04 (14)°]. In the crystal structure, intermolecular O—H⋯N hydrogen bonds link the complex molecules into a two-dimensional network parallel to (100).
In the title compound, [FeCl2(C24H21N7)]Cl·C4H8O·H2O, the FeIII atom is coordinated by four N atoms of the polybenzimidazole ligand and two Cl atoms in a distorted octahedral environment. The cation, anion, the uncoordinated water molecule and the THF solvent molecule are linked by hydrogen bonds into a three-dimensional network structure. The THF molecule is disordered with two sets of sites in a 0.58 (1):0.42 (2) ratio..
The tridentate Schiff base ligand of the title complex, [V(C15H12N2O4)O(C12H8N2)]·C3H7NO, was derived from the condensation of 2-hydroxy-1-naphthaldehyde and l-asparagine. The central VIV atom is six-coordinated by one oxide O atom, two N atoms from 1,10-phenanthroline and one N atom and two O atoms from the Schiff base ligand in a distorted octahedral geometry. In the crystal structure, intermolecular N—H⋯O hydrogen bonds connect molecules into centrosymmetric dimers. The C atoms of the dimethylformamide solvent molecule are disordered over two sites with site-occupancy factors of 0.732 (13) and 0.268 (13).
In the title benzene-solvated heteroleptic lithium complex, [Li(C25H21P2S2)(C10H8N2)]·C6H6, the LiI ion is four-coordinated in a distorted tetrahedral geometry by two S atoms and two N atoms of the two chelating ligands, viz. bis(diphenylthiophosphinoyl)methyl and 2,2′-bipyridine. The 2,2′-bipyridine molecule is slightly twisted with a dihedral angle between the pyridine rings of 7.35 (12)°. Intramolecular C—H⋯S hydrogen bonds are present. In the crystal, molecules are stacked along the c axis by π–π interactions, with centroid–centroid distances of 3.6021 (15) and 3.6401 (16) Å. The crystal structure also features weak C—H⋯π interactions.
In the mononuclear complex molecule of the title compound, [Cr(C9H9O3)2Cl(H2O)]·0.5CH3CN, the CrIII atom displays an elongated octahedral coordination geometry. The dihedral angle between the benzene rings is 12.27 (11)°. Adjacent complex molecules are linked into dimers by O—H⋯O hydrogen bonds, generating rings of R
2(6) and R
2(5) graph-set motifs, and by aromatic π–π stacking interactions, with a centroid–centroid distance of 3.812 (2) Å. The crystal packing is further stabilized by intermolecular C—H⋯N hydrogen bonds. The C and N atoms of the acetonitrile solvent molecule are located on a crystallographic twofold axis.
In the mononuclear title complex, [Zn(C10H8N2)2(C2H6OS)2](C24H20B)2·C2H6OS, the ZnII ion is coordinated by four N atoms of two bidentate 2,2′-bipyridine molecules and by the O atoms of two cis-disposed dimethyl sulfoxide molecules in a distorted octahedral geometry. The S atom and the methyl groups of one of the coordinated dimethyl sulfoxide molecules are disordered in a 0.509 (2):0.491 (2) ratio. The crystal packing is stabilized by C—H⋯O hydrogen bonds between the dimethyl sulfoxide solvent molecules and tetraphenylborate anions.
The title complex [CuCl(C12H8N2)2]2[Fe(CN)5(NO)]·C3H7NO, consists of discrete [Cu(phen)2Cl]+ cations (phen is 1,10-phenanthroline), [Fe(CN)5NO]2− anions and one dimethylformamide (DMF) solvent molecule of crystallization per asymmetric unit. The CuII atom is coordinated by two phenanthroline ligands and one chloride ion in a distorted trigonal–bipyramidal geometry. The dihedral angle between the phen ligands is 77.92 (7)°. The cation charge is balanced by a disordered nitroprusside counter-anion with the FeII atom located on an inversion center with a slightly distorted octahedral coordination geometry. In the crystal, weak C—H⋯N and C—H⋯Cl hydrogen bonds connect anions and cations into a two-dimensional network parallel to (100). In addition, π–π stacking interactions are observed with centroid–centroid distances in the range 3.565 (2)–3.760 (3)Å. The dimethylformamide solvent molecule was refined as disordered about an inversion center.
The title mixed-ligand oxidovanadium(IV) compound, [VO(C5H7O2)2(C8H9N3)], contains a VIV atom in a distorted octahedral coordination, which is typical for such complexes. The vanadyl group and the N-heterocyclic ligand are cis to each other. The coordination bond is located at the endocyclic N atom of the benzimidazole ligand. Intramolecular hydrogen bonds between the exo-NH2 group H atoms and acetylacetonate O atoms stabilize the crystal structure.
The title compound, [V2Cl4O2(CH3CN)4], is a centrosymmetric dinuclear VIV complex associated with four molecules of acetonitrile. The coordination around both VIV atoms is essentially square-planar, involving three Cl atoms and one O atom [maximum deviation = 0.017 (3) Å for the O atom]. The augmented octahedral coordination of the metal atom is completed by the N atoms of acetonitrile ligands. The VIV atoms are linked by two Cl atoms, acting as bridging atoms. The crystal studied was a non-merohedral twin with a ratio of the two twin components of 0.8200 (3):0.1800 (3). Although Cl and O atoms are present as potential acceptors in the title compound, no hydrogen bonds were observed in the crystal structure.
The reaction of 4-(dimethylamino)pyridine, picolinic acid and stannic chloride yields the title monosolvated salt, (C13H10NO)[SnCl4(C6H4NO2)]·CH3OH. The SnIV atom is N,O-chelated by the picolinate ion in a cis-SnNOCl4 octahedral geometry. The cation is linked to the methanol solvent molecule by an O—H⋯O hydrogen bond; the solvent molecule itself is a hydrogen-bond donor to the uncoordinating carboxylate O atom of the anion. The cations and anions are linked by weak N—H⋯Cl interactions, forming a chain running along the b axis.
In the title compound, [Mo(C15H22BN6)Cl(NO)(C9H13N)]·CH2Cl2, the MoI atom adopts a distorted MoClN5 octahedral geometry with the hydrotris(3,5-dimethylpyrazolyl)borate anion in an N,N′,N′′-tridentate tripodal (facial) coordination mode. A 4-tert-butylpyrine ligand, chloride anion and a nitrosyl cation complement the coodination of the MoI atom and an intramolecular C—H⋯Cl hydrogen bond helps to stabilize the configuration of the complex molecule. The packing is stabilized by an intermolecular C—H⋯Cl hydrogen bond involving the complex molecule and the CH2Cl2 solvent molecule.