metal-organic compounds
Open access
In the title compound, [Ni(HCOO)2(C7H8N2O)2], the Ni atom is six-coordinated by four N atoms from two oxime ligands and by two O atoms from two formate ions in a distorted octahedral geometry, with the oxime-N atoms mutually trans. The molecular conformation is stabilized by intramolecular O—HO hydrogen bonds.
organic compounds
Open access
In the title molecule, C10H9NOS2, the 2-sulfanylidenethiazolidin-4-one mean plane and phenyl ring form a dihedral angle of 81.7 (1)°. In the crystal, C—Hπ interactions link molecules into helical chains in [010].
metal-organic compounds
Open access
In the title complex, [Sn(C7H6F)2(C8H5N2S3)2], including the weak Sn-N interactions, the SnIV atom is situated in a distorted trans-octahedral geometry, and the equatorial plane is defined by two chelating 4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolate ligands. The apical positions are occupied by two C atoms of 4-fluorobenzyl groups.
organic compounds
Open access
In the title compound, C25H26N4O3, the two fused pyrrolo[3,2-d]pyrimidine rings form a dihedral angle of 3.7 (2)°. The two substituent phenyl rings are twisted with respect to the pyrrole and pyrimidine rings, making dihedral angles of 57.2 (2) and 69.0 (2)°, respectively. The ethyl and ethoxy groups are disordered over two positions; the site occupancies are 0.53 (1) and 0.47 (1) for ethyl, and 0.63 (1) and 0.37 (1) for ethoxy. The crystal packing features C—HO hydrogen bonds.
organic compounds
Open access
In the crystal structure of the title solvated salt, C16H19N2+·C8H5O7S−·CH3OH, the anions and the methanol solvent molecules are linked by O—HO hydrogen bonds. The cations and anions are packed as alternate layers parallel to (11). The crystal structure is further stabilized by a π–π interaction between the pyridinium and benzene rings of the cations, with a centroid–centroid distance of 3.5492 (4) Å.
metal-organic compounds
Open access
In the title complex, [Ni2(C14H17NO4)2(C12H8N2)2]·4CH3OH·3H2O, the two NiII ions are bridged by two Schiff base anions, leading to a dinuclear complex. One NiII ion is six-coordinated by four O atoms and two N atoms of two tridentate Schiff base ligands derived from the condensation of L-isoleucine and o-vanillin. The other NiII ion is six-coordinated by four N atoms of two 1,10-phenanthroline ligands and two O atoms of the Schiff base ligands. In the crystal, intermolecular O—HO and C—HO hydrogen bonds lead to a three-dimensional structure. Intramolecular C—HO hydrogen bonds are also present. One of the methyl groups of the L-isoleucinate moieties is disordered over two sets of sites with an occupancy ratio of 0.687 (19):0.313 (19) and two methanol molecules are half-occupied.
organic compounds
Open access
In the crystal structure of the title compound, C16H19N2+·C8H10NO3S−·H2O, the cations and anions are linked by O—HO and N—HO hydrogen bonds, forming alternating layers parallel to the ac plane. An intramolecular N—HO hydrogen bond occurs in the anion. The crystal structure is further stabilized by π–π interactions, with centroid–centroid distances of 3.7240 (9) and 3.6803 (8) Å.
metal-organic compounds
Open access
In the title complex, [CuCl2(C10H7N3S)(C2H5OH)], the CuII ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a 2-(1,3-thiazol-4-yl)-1H-benzimidazole ligand, one O atom from an ethanol molecule and two Cl atoms. In the crystal, O—HCl and N—HCl hydrogen bonds link the complex molecules into a layer parallel to (100). π–π interactions between the thiazole rings are observed [centroid–centroid distance = 3.749 (3) Å].
metal-organic compounds
Open access
In the title complex, [Cd2(C17H14O4S)2(C10H8N2)2], which was hydrothermally synthesized, the CdII cation is hexacoordinated in a distorted octahedral geometry by two N atoms from a 2,2′-bipyridine ligand and by four O atoms from two different 2-[3-carboxylatomethyl-4-(phenylsulfanyl)phenyl]propanoate ligands, forming a cyclic dimetallic complex.
metal-organic compounds
Open access
In the centrosymmetric binuclear complex of the title solvate, [Sm2(C21H15N2O3)2(C4H8O)2]·2C4H8O, the SmIII is coordinated in a distorted monocapped octahedral geometry by four O atoms and two N atoms from two tridentate deprotonated 2-{bis[(2-oxidobenzylidene)amino]methyl}phenolate ligands and an O atom of a tetrahydrofuran (THF) molecule. The SmSm distance in the complex is 3.8057 (4) Å. Parts of the coordinating THF molecule are disordered over two sets of sites in a 0.56 (3):0.44 (3) ratio. The complex and solvent molecules are linked into a three-dimensional structure via C—HO hydrogen-bonding interactions.
metal-organic compounds
Open access
In the title complex, [V(C13H15NO3)O(CH3O)(CH3OH)], the VV atom is six-coordinated by a tridentate O,N,O′-donor ligand, derived from the condensation of salicylaldehyde and L-isoleucine, a vanadyl O atom, a methanolate O atom and a methanol O atom in a distorted octahedral geometry. The asymmetric unit contains two complex molecules. In the crystal, intermolecular O—HO and C—HO hydrogen bonds connect the molecules into a one-dimensional chain along [100].
organic compounds
Open access
The asymmetric unit of the title salt, C16H19N2+. C6H4NO5S−, consists of two cations and two anions. The crystal structure is stabilized by π–π interactions between the pyridyl and phenyl rings of the cations, with a centroid–centroid distance of 3.7323 (6) Å.
metal-organic compounds
Open access
The title compound, [Cu2(C15H11BrN2O4)2(C3H7NO)2], is derived from the reaction of N′-(5-bromo-2-hydroxy-3-methoxybenzylidene)-2-hydroxybenzohydrazide and copper nitrate in a dimethylformamide solution in the presence of sodium hydroxide. The compound can be regarded as a binuclear centrosymmetric complex. In the crystal, the CuII atom is fivefold surrounded and adopts a distorted square-pyramidal coordination environment. An intramolecular O—HN hydrogen bond stabilizes the molecular conformation.
organic compounds
Open access
The title compound, C32H28N6O4·2C2H5OH, consists of two 2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent molecules are also present. The main molecule lies on a center of symmetry located at the center of the benzene ring. The fused-ring system of the benzofuro[3,2-d]pyrimidine moiety is nearly planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.21 (7)° with the central benzene ring. The crystal structure features O—HO and N—HO interactions. The C atoms of the propylamino side chain in the main molecule and the ethyl group in the solvent molecule are disordered over two positions, with site-occupancy factors 0.34:0.66 and 0.42:0.58, respectively.
metal-organic compounds
Open access
The title compound, [Pb2(C2O4)(NO3)2(C10H8N2)2(H2O)2], was synthesized hydrothermally. The binuclear complex molecule is centrosymmetric, the inversion centre being located at the mid-point of the oxalate C—C bond. The PbII ion is heptacoordinated by the O atom of one water molecule, two oxalate O atoms, two nitrate O atoms and two 2,2′-bipyridine N atoms, forming an irregular coordination environemnt. Intermolecular O—HO hydrogen bonds between water molecules and oxalate and nitrate ions result in the formation of layers parallel to (010). π–π interactions between pyridine rings in adjacent layers, with centroid–centroid distances of 3.584 (2) Å, stabilize the structural set-up.
organic compounds
Open access
In the title compound, C17H16BrNO2, the two benzene rings make a dihedral angle of 7.4 (3)°; the hydroxy group links to the carbonyl group via an intramolecular O—HO hydrogen bond. In the crystal, weak C—HO interactions link the molecules into a supramolecular chain running along the c axis.
organic compounds
Open access
The organic molecule of the title hydrate, C15H13BrN2O4·H2O, is roughly planar, with a mean deviation of 0.0939 (2) Å. The dihedral angle between the two aromatic rings is 8.2 (3)°. Intramolecular O—HN and O—HO hydrogen bonds are observed. In the crystal, N—HO(water) and O(water)—HO hydrogen bonds lead to a three-dimensional network.
organic compounds
Open access
The title compound, C34H54N2O2·0.25H2O, the organic molecule, a potential tetradentate ligand with a bulky phenolic donor, has overall mirror symmetry. A partially occupied water molecule of solvation is present in the lattice. The six-membered 1,3-diazinane ring displays a chair conformation. An intramolecular O—HN hydrogen bond ocurs. In the crystal, molecules are linked by O—HO interactions.
organic compounds
Open access
In the title compound, C16H11N3O, the dihedral angles between the 3-cyanobenzene and benzene planes and the 1H-pyrazol-5(4H)-one plane are 4.97 (9) and 9.91 (9)°, respectively.
organic compounds
Open access
There are two independent molecules in the asymmetric unit of the title compound, C12H12N2, in which the pyrrole and benzene rings form dihedral angles of 72.37 (7) and 82.34 (8)°. The imino N—C bond lengths in the two molecules are equal [1.286 (2) Å] and indicate C=N character. In the crystal, each molecule forms a dimer with an inversion-related molecule through a pair of classical N—HN hydrogen bonds.
organic compounds
Open access
There are two independent molecules in the asymmetric unit of the title compound, C15H18N2, each of which features a syn disposition of the N atoms. In each molecule, the pyrrole and benzene rings are essentially perpendicular, with dihedral angles of 78.90 (9) and 79.96 (9)°. In the crystal, the independent molecules are connected by a pair of pyrrole–imino N—HN hydrogen bonds, forming a two-molecule aggregate.