trans-Bis[8-(benzylsulfanyl)quinoline-κ2 N,S]dichloridocobalt(II)

The title dichlorocobalt(II) complex, trans-[CoCl2(1)2] [1 = 8-(benzylsulfanyl)quinoline, C16H13NS], has a central CoII atom (site symmetry \overline1) that exhibits a distorted octahedral coordination geometry and is coordinated by two N and two S atoms from the bidentate N,S-ligand (1) situated in an equatorial plane and two Cl atoms in the axial positions. Complexes are linked by weak intermolecular C—H...π interactions between the 8-(benzylsulfanyl)quinoline ligands, forming a chain extending along the a-axis direction.

Crystal Structure and Catalytic Activity of Poly[bis(3-bromo-2-hydroxybenzaldehyde)-2-aminopyrimidinemagnesium(II)] for Hydrogenation of 1,3-Butadiene

A new six-coordinated Mn(II) coordination polymer, [Mn(L1)(L2)2]n (L1 = 2-aminopyrimidine, HL2 = 3-bromo-2-hydroxybenzaldehyde) was synthesized by 3-bromo-2-hydroxybenzaldehyde, NaOH, 2-aminopyrimidine and manganese(II) acetate dihydrate. The Mn(II) coordination polymer was structural characterized by elemental analysis and single crystal X-ray diffraction. The results show that each Mn(II) ion is six-coordinated with two phenolic hydroxyl O atoms from two 3-bromo-2-hydroxybenzaldehyde ligands (O1 and O4), two formyl group O atoms from two 3-bromo-2-hydroxybenzaldehyde ligands (O2 and O3), and two N atoms from two 2-aminopyrimidine molecules (N1A and N2), and forms a distorted octahedral coordination geometry. The Mn(II) coordination polymer displays a 1D chained structure by the bridge effect of 2-aminopyrimidine N atoms. The catalytic activities of Mn(II) coordination polymer and Pd@Mn(II) coordination polymer for hydrogenation of 1,3-butadiene have been investigated. The Pd@Mn(II) coordination polymer catalyst shows the good catalytic activity and selectivity in the hydrogenation of 1,3-butadiene. The 1,3-butadiene conversion is 61.3% at 70 °C, and the selectivity to total butene is close to 100%. Copyright © 2021 by Authors, Published by BCREC Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0).

catena-Poly[[(2,2′-bipyridine-κ2 N,N′)manganese(II)]-di-μ-bromido]

In the polymeric title complex, [MnBr2(C10H8N2)] n , the MnII ion, situated on a twofold axis of symmetry, is six-coordinated in a distorted octahedral coordination geometry defined by two N atoms from the chelating 2,2′-bipyridine ligand and four bridging Br− anions. The crystal reveals a one-dimensional Br-bridged chain along the c-axis direction with a zigzag topology. In the crystals, contacts between chains include π–π interactions between pyridyl rings [inter-centroid separation = 4.082 (1) Å]

Crystal structure of the coordination polymer catena-poly[[bis[hydroxy(phenyl)acetato-κ2 O 1,O 2]zinc(II)]-μ2-1,2-bis(pyridin-4-yl)ethane-κ2 N:N′]

In the title polymeric ZnII compound, [Zn(C8H7O3)2(C12H12N2)] n , the Zn cation is coordinated by two N atoms from 1,2-bis(pyridin-4-yl)ethane unit and four O atoms from two mandelate [or hydroxy(phenyl)acetate] anions in a slightly distorted octahedral coordination geometry. The 1,2-bis(pyridin-4-yl)ethane unit bridges two ZnII cations, related by an inversion centre, to form a polymeric chain along [110]. The crystal structure features extensive O—H...O and weak C—H ...O hydrogen bonds, with C—H ... π interactions and π–π interactions also being present. The centroid–centroid distance between the phenyl ring of the mandelate group and the 1,2-bis(pyridine-4-yl)ethane moiety is 4.951 (2) Å. The 1,2-bis(pyridin-4-yl)ethane ligand is disordered over two positions, with a refined occupancy of 0.578 (14) for the major component.

Synthesis, X-ray Structure, Hirshfeld Analysis of Biologically Active Mn(II) Pincer Complexes Based on s-Triazine Ligands

Herein, the synthesis and antimicrobial activities of [Mn(MorphBPT)(H2O)2NO3]NO3; (1) and [Mn(PipBPT)(H2O)2NO3]NO3; (2) complexes of the pincer-type tridentate ligands MorphBPT; 4-(4,6-di(1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)morpholine and PipBPT; 2-(piperidin-1-yl)-4,6-di(1H-pyrazol-1-yl)-1,3,5-triazine are presented. Both complexes have slightly distorted octahedral coordination geometry. Their molecular packing depends on O–H···O, C–H···O hydrogen bonds and anion–π stacking contacts. Hirshfeld analysis was used to quantify the different contacts. Both complexes exhibited better anti-fungal activity than the standard Fluconazole and comparable antibacterial activity to Gentamycin against Staphylococcus aureus and Escherichia coli microbes. Moreover, complexes 1 and 2 are biologically more active than the free ligands against these microbes.

Direct synthesis and crystal structure of a novel tetranuclear Co2IIIFe2III Schiff base complex

The title compound, tetra(µ-2-3-(2-oxybenzylideneamino)-1-hydroxypropan-2-olato)-4-nitrophenolatedi-cobalt(III)-di-iron(III) dimethylsulfoxidehexasolvate, crystallizes in the monoclinic space group P21/c and represent the first example of heterometallic CoIII-FeIII complex with 3-((5-nitro-2-hydroxybenzylidene)amino)propane-1,2-diol/2-(((2,3-dihydroxy propyl)iminio)methyl)-4-nitrophenolate) - a hydroxyl rich Schiff base ligand which was obtained in situ. Crystal data for C52H74Cl2Co2Fe2N8O26S6 (M = 1720.01 g/mol): monoclinic, space group P21/c (no. 14), a = 16.353(3) Å, b = 15.234(2) Å, c = 15.201(3) Å, β = 113.99(2)°, V = 3460.0(12) Å3, Z = 2, T = 173(2) K, μ(MoKα) = 1.225 mm-1, Dcalc = 1.651 g/cm3, 14130 reflections measured (5.7° ≤ 2Θ ≤ 57.266°), 7748 unique (Rint = 0.1051, Rsigma = 0.2148) which were used in all calculations. The final R1 was 0.0914 (I > 2σ(I)) and wR2 was 0.2279 (all data). The metal ions have distorted octahedral coordination geometry and are joined in a tetranuclear {Co2Fe2(µ-O)6} core by O-bridging atoms from the ligand. There are numerous intermolecular interactions occurring between the components of the crystal: π-hole interaction between NO2···NO2 groups of the ligands, short S···S, O···O and C··· C interactions and weak and strong hydrogen bonds.

Tetracarbonyl[4,4-dimethyl-2-(pyridin-2-yl)-2-oxazoline-κ2 N,N′]molybdenum(0)

In the title compound, [Mo(C10H12N2O)(CO)4], the molybdenum(0) center is surrounded by a bidentate diimine [4,4-dimethyl-2-(pyridin-2-yl)-2-oxazoline] and four carbonyl ligands in a distorted octahedral coordination geometry. The diimine ligand coordinates via the two nitrogen atoms.

Hydrogen bonding and π–π interactions in the cocrystal salt [Fe(bpe)2(H2O)4](TCEP)2·2(bpe) [bpe is trans-1,2-bis(pyridin-4-yl)ethene and TCEP is 1,1,3,3-tetracyano-2-ethoxypropenide]

The cocrystal salt tetraaquabis[trans-1,2-bis(pyridin-4-yl)ethene-κN]iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide)–trans-1,2-bis(pyridin-4-yl)ethene (1/2), [Fe(C12H10N2)2(H2O)4](C9H5N4O)2·2C12H10N2, is a rare example of a mononuclear FeII compound with trans-1,2-bis(pyridin-4-yl)ethane (bpe) ligands. The complex cation resides on a crystallographically imposed inversion center and exhibits a tetragonally distorted octahedral coordination geometry. Both the symmetry-independent bpe ligand and the cocrystallized bpe molecule are essentially planar. The 1,1,3,3-tetracyano-2-ethoxypropenide counter-ion is nonplanar and the bond lengths are consistant with significant electron delocalization. The extended structure exhibits an extensive O—H...N hydrogen-bonding network with layers of complex cations joined by the cocrystallized bpe. Both the coordinated and the cocrystallized bpe are involved in π–π interactions. Hirshfeld and fingerprint plots reveal the important intermolecular interactions. Density functional theory was used to estimate the strengths of the hydrogen-bonding and π–π interactions, and suggest that the O—H...N hydrogen bonds enhance the strength of the π-interactions by increasing the polarization of the pyridine rings.

Diaquabis[4-(dimethylamino)pyridine-κN 1]bis[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetato-κO 1]cobalt(II)

In the mononuclear title complex, [Co(C10H6NO4)2(C7H10N2)2(H2O)2], the CoII ion is located on an inversion centre and has a distorted octahedral coordination geometry of type CoN2O4 by two N atoms from the two 4-(dimethylamino)pyridine (DMAP) ligands, two carboxylate O atoms from the two deprotonated N-phthaloylglycine (Nphgly) ligands [systematic name: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate] and two coordination water molecules. In the crystal, O—H...O, C—H...O hydrogen bonds and π–π stacking interactions link the molecules into the supramolecular structure.

Tetracarbonyl[N-(diphenylphosphanyl-κP)-N,N′-diisopropyl-P-phenylphosphorus diamide-κP]molybdenum(0) with an unknown solvent

The title complex, [Mo(C24H30N2P2)(CO)4], contains a molybdenum centre bearing a P,P′-cis-chelating Ph2PN( i Pr)P(Ph)NH( i Pr) and four carbonyl ligands in a distorted octahedral coordination geometry. This results in a nearly planar four-membered metallacycle. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds to form layers parallel to the ac plane. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).