metal-organic compounds
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In the title compound, [Co(C4H7N2O2)2Cl(C8H9NO2)], which was prepared as a model complex of vitamin B12, the CoIII atom, which is linked to four N atoms of the pseudo-macrocyclic (dmgH)2 ligand (dmgH is dimethylglyoximate) in the equatorial plane and one Cl− anion and one N atom of ethyl nicotinate in apical positions, displays an approximately octahedral coordination. The Co atom is 0.0187 (8) Å out of the mean plane of the four equatorial N atoms. The structure has an OHO bridge, which is very common in cobaloxime derivatives, with OH distances of 1.24 (2) and 1.25 (2) Å.
organic compounds
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The title compound, C56H83N9O9S·3CH3OH, is a methanol trisolvate of the cyclolinopeptide cyclo(Met1—Leu2—Ile3—Pro4—Pro5—Phe6—Phe7—Val8—Ile9) (henceforth referred to as CLP-B), which was isolated from flaxseed oil. All the amino acid residues are in an L-configuration based on the CORN rule. The cyclic nonapeptide exhibits eight trans peptide bonds and one cis peptide bond observed between the two proline residues. The conformation is stabilized by an α-turn and two consecutive β-turns each containing a N—HO hydrogen bond between the carbonyl group O atom of the first residue and the amide group H atom of the fourth (α-turn) or the third residue (β-turns), repectively. In the crystal, the components of the structure are linked by N—HO and O—HO hydrogen bonds into chains parallel to the a axis.
metal-organic compounds
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The title mononuclear complex, [Zn(C11H7N6)2(H2O)2], is composed of one ZnII ion, two deprotonated ppt ligands [Hppt = 5-(pyrazin-2-yl)-3-(pyridin-4-yl)-1H-1,2,4-triazole] and two coordinating water molecules. The asymmetric unit consists of one half-molecule that is completed by application of a centre of symmetry. The ZnII atom is six-coordinated in an octahedral environment, surrounded by two O atoms in the axial positions and four N atoms in the equatorial plane. Adjacent mononuclear units are further linked via O—HN hydrogen-bonding interactions, forming a two-dimensional network along (100).
metal-organic compounds
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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—HN and non-classical C—HCl hydrogen-bonding interactions further consolidate the crystal packing.
metal-organic compounds
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In the title compound, [Ni(C6H3ClNO2)2(H2O)4]·4H2O, the NiII ion is located on an inversion centre and is octahedrally coordinated by four O atoms from four water molecules in the equatorial plane and two O atoms of two 6-chloro-3-carboxylate ligands in axial positions. There are also four lattice water molecules present. The organic ligands are bound to the NiII ion in a monodentate manner through a carboxylate O atom. There is one strong intramolecular O—HO hydrogen bond and six intermolecular O—HO and O—HN hydrogen-bonding interactions in the packing, resulting in a complex three-dimensional network structure.
metal-organic compounds
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In the title compound, [Co(C6H3ClNO2)2(H2O)4]·4H2O, the CoII cation is located on an inversion center and is coordinated by four water molecules and two 6-chloropyridine-3-carboxylate anions in a slightly distorted octahedral geometry. In the crystal, complex molecules and lattice water molecules are linked by O—HO and O—HN hydrogen bonds into a three-dimensional network.
metal-organic compounds
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In the title compound, {[Cu(C11H5NO4)(H2O)2]·H2O}n, the CuII ion is five-coordinated by two O atoms and one N atom of two symmetry-related quinoline-2,3-dicarboxylate ligands, and two water molecules. The water molecules occupy basal and apical positions of the square-pyramidal coordination polyhedron. Each quinoline-2,3-dicarboxylate dianion bridges two adjacent CuII ions, forming a polymeric chain along [010]. The chains are further connected via O—HO hydrogen-bonding interactions and quinoline ring π–π interactions [centroid–centroid distance = 3.725 (4) Å], generating a three-dimensional structure. Lattice water molecules participate in the crystal structure via O—HO hydrogen bonds.
metal-organic compounds
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In the title CuI compound, [Cu(C6H5N5)(C18H15P)2]BF4, the CuI cation is N,N′-chelated by a 5-(pyridin-2-yl)-1H-tetrazole ligand and coordinated by two triphenylphosphane ligands in a distorted tetrahedral geometry. The tetrazole and pyridine rings are essentially coplanar [dihedral angle = 4.1 (3)°]. The tetrafluoridoborate anion links to the complex cation via an N—HF hydrogen bond.
organic compounds
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In the title molecule, C16H17BrN2O, the benzene rings, bridged by a diazene fragment, form a dihedral angle of 6.3 (2)°. The crystal packing exhibits relatively short BrBr contacts of 3.6989 (14) Å.
organic compounds
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In the title spiroindenoquinoxaline compound, C22H14N6O·C2H6O, the five-membered ring of the indene unit and the pyran ring are perpendicular [89.11 (3)°]. In the crystal, N—HN hydrogen bonds connect the spiroindenoquinoxaline molecules, and the ethanol solvent molecules complete the hydrogen-bond network via O—HN and N—HO interactions.