Crystal Structure and Magnetic Properties of a Novel Octa-coordinated Manganese(II) Complex

Abstract  The self-assembly and structural characterization of the new manganese(II) [MnL ₂](ClO₄)₂(CH₃OH)_0.5 (1) complex has been achieved. The crystallographic data for the complex 1: Orthorhombic Pbca , a = 16.287(2) ?, b = 21.293(2)?, c = 32.718(3) ?, V = 11,347(2) ?³, Z = 8. The two polydentate ligands strand intertwined each other and around the manganese(II) ions forming a mononuclear complex. The Mn(II) ion is eight-coordinated with the eight donor nitrogen atoms of two ligands to form a distorted square antiprismatic coordination geometry. The magnetic properties investigation indicates that there is a weak antiferromagnetic exchange coupling between the Mn(II) ions of the complex. Index Abstract  An octa-coordinated Mn(II) complex which exhibits a distorted square antiprismatic coordination geometry has been achieved by using a bisbidentate Schiff-base ligand.      

Synthesis and Structure of a Silver(I) Complex {[Ag5(L)2(NO3)4](NO3)(CHCl3)2}n [L?=?2,3-bis(pyrimidine-2-thiomethyl)quinoxaline]

Abstract  The reaction of the dithioether ligand, 2,3-bis(pyrimidine-2-thiomethyl)quinoxaline (L) with AgNO₃, leads to the formation of a novel complex {[Ag₅(L)₂(NO₃)₄](NO₃)(CHCl₃)₂}n 1, which has been characterized by single-crystal X-ray diffraction analysis: monoclinic, space group C2/c, with a = 34.741(7), b = 9.930(2), c = 17.004(4) ?, β = 106.497(6)° and V = 5625(2) ?³.Complex 1 consists of 2D {[Ag₅(L)₂(NO₃)₄]⁺}n cations, uncoordinated anions and CHCl₃ solvent molecules. In 1, there exist three crystallographic independent Ag^I centers, which adopt different coordination geometries. There exist π–π stacking interactions in the complex and these weak interactions further stabilize the crystal structure in the solid state. The coordination feature of the ligand has been investigated by DFT calculations. Index Abstract  Synthesis and Structure of a Silver(I) Complex {[Ag₅(L)₂(NO₃)₄](NO₃)(CHCl₃)₂}_n [L = 2,3-bis(pyrimidine-2-thiomethyl)quinoxaline] Chao-Yan Zhang, Qian Gao, Ya-Bo Xie*, and Jian-Bo Feng The crystal structure of complex {[Ag₅(L)₂(NO₃)₄](NO₃)(CHCl₃)₂}n (L = 2,3-bis(pyrimidine-2-thiomethyl)quinoxaline) consists of 2D {[Ag₅(L)₂(NO₃)₄]⁺}n cations, uncoordinated anions and CHCl₃ solvent molecules. There exist three crystallographic independent Ag^I centers, which adopt different coordination geometries. The coordination feature of the ligand has been investigated by DFT calculations.      

Synthesis,Crystal Structure and Fluorescent Study of Bis(2-(2-hydroxyphenyl)benzimidazolate)zinc with Ethanol Solvate

Abstract  The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)₂]·C₂H₅OH (1 · C₂H₅OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes in monoclinic space group P2₁/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?³. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer transition (LCCT) with π → π* property. Index Abstract   A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized by X-ray crystallography and fluorescent studies.      

Hydrogen-bonded Multicomponent Behavior in Tetra-<Emphasis Type="Italic">iso</Emphasis>-butyl-resorcin[4]arene–1,4-Bis(pyridyl)ethane–Methanol–Water (1/2/0.5/1)

Abstract  Co-crystallization of the tetra-iso-butyl-resorcin[4]arene (1) with 1,4-bis-(pyridyl)ethane (bpe) obtained from methanol yields a molecular solid of the multicomponent host–guest complex 1 · 2(bpe) · 0.5MeOH · H₂O (2) in which 1 assemblies with water molecules to form a hydrogen-bonded dimer. The bpe ligands in both cis- and trans-stereo configurations exist in the complex 2, of which trans-bpe moieties as guests are encapsulated in the capsules constructed by two pairs of opposition bowls of resorcinarenes. Graphical Abstract  The 1,4-bis(pyridyl)ethane (bpe) ligands in both cis- and trans-stereo configurations exist in a multicomponent molecular solid, of which trans-bpe moieties as guests are encapsulated in the capsules constructed by two pairs of opposition bowls of resorcinarenes.      

An X-Ray Crystallographic Study of the Novel Aminal bis-(<Emphasis Type="Italic">p</Emphasis>-Ethoxycarbonylphenylamino-)methane

Abstract  The crystal structure of bis-(p-Ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis. The bis-aminal (1) molecule is V-shaped and situated on a twofold axis passing through C1 with the phenyl rings forming a dihedral angle of 70.2(1)°. The carboxylate and phenyl groups are coplanar. The crystal structure of 1 is compared with the structure of the closely related aminals, 2–5. Crystal data: 1 C₁₉H₂₂N₂O₄, tetragonal, space group I4 ₁ cd (N.110), a = 20.4760(7) Ǻ, b = 20.4760(7) Ǻ, c = 8.2984(3) ?, and V = 3477.7(2) ?³, for Ζ = 8. Index Abstract  The crystal structure of bis-(p-ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis.      

3D Solid-State Network from Hierarchical Supramolecular Self-Assembly of Transition Metal Complexes of Pyridine Based Ligand

Abstract  The crystal structures of [Cu(py)₄(ClO₄)](ClO₄) (1), [V(pic)₂(OH)](NO₃)₂ · H₂O (2) and [Ni(H₂O)₆][Ni(dpa)₂] · 2H₂O (3) [py = Pyridine, picH = Pyridine-2-carboxylic acid, dpaH₂ = Pyridine-2,6-dicarboxylic acid] was determined by single-crystal X-ray diffraction techniques. Solid-state structural analysis shows that all these complexes from extensive 3D network structure via supramolecular self-assembly. The crystal structures are stabilized by extended hydrogen bonding interactions. The complex 2 forms orange V₂O₅ micro spheroids when heated at ~400 °C for 6 h. Graphical Abstract  Hierarchical supramolecular self-assembly of transition metal complexes of pyridine based ligands in crystal. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Sovolthermal Synthesis and Crystal Structure of Two CdII Coordination Polymers of Benzenedicarboxylic

Abstract  Two cadmium coordination polymers of benzenedicarboxylic: [C₈H₆CdO₅]_n (1) and [C₈H₁₀CdO₇]_n·4H₂O (2), have been synthesized by sovolthermal method and characterized by single-crystal X-ray diffraction. Our experimental results suggest that complex 1 crystallizes in orthorhombic space group Pbcm with a = 6.4978(8) ?, b = 6.9475(9) ?, c = 18.319(2) ?, and Z = 4. Structural analysis reveals that complex 1 features a three-dimensional framework structure formed by strong coordination bond and weak hydrogen bond force. Complex 2 crystallizes in orthorhombic space group Pcca with a = 7.293(2), b = 9.980(3), c = 19.889(6), and Z = 4. Complex 2 exhibits a layered framework structure formed by extensive inter-chain hydrogen bond interaction. Index Abstract  Two cadmium coordination polymers of benzenedicarboxylic: [C₈H₆CdO₅]_n (1) and [C₈H₁₀CdO₇]_n·4H₂O (2), have been synthesized by sovolthermal method and characterized by single-crystal X-ray diffraction      

CoL(SO4)0.5 ?·?4H2O and MnL2 ?· 2H2O (L = 1,10-Phenanthroline-4,5- f -triazolate): Synthesis, Crystal Structures and Hydrogen-Bonded Networks

Abstract  Two metal complexes of 1H-triazo-4,5-f-1,10-phenanthroline (HL), CoL(SO₄)_0.5 · 4H₂O (1) and MnL ₂ · 2H₂O (2) have been synthesized on hydrothermal conditions and characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction analysis. Complex 1 was further assembled into a three-dimensional (3D) supramolecular network through the hydrogen-bonding interactions and inter-molecular π···π stacking interaction, 2 further assembled into a two-dimensional (2D) layer structure. This result shows that hydrogen-bonding interactions and π···π stacking interaction play important roles in the formation of coordination networks, especially in the aspect of linking the multinuclear discrete subunits or low-dimensional entities into high-dimensional supramolecular frameworks. Index abstract  Two metal complexes of 1H-triazo-4,5-f-1,10-phenanthroline (HL), CoL(SO₄)_0.5 · 4H₂O (1) and MnL₂ · 2H₂O (2) have been synthesized on hydrothermal conditions. Complex 1 was further assembled into a three-dimensional (3D) supramolecular network through the hydrogen-bonding interactions and inter-molecular π···π stacking interaction, 2 further assembled into a two-dimensional (2D) layer structure.      

A Sodium Supported Borate Ester: Synthesis,Spectral Characterization and Crystal Structure of dimeric Sodium Organoborate Complex [Na(py)][B(hyncaH<Subscript>−2</Subscript>)<Subscript>2</Subscript>]<Subscript>2</Subscript>

Abstract  A dimeric sodium supported borate complex, [Na(py)][B(hyncaH₋₂)₂]₂ (1) (py = pyridine, hynca = 1-hydroxynaphthalene-2-carboxylic acid), has been synthesised by the reaction of NaBH₄ with two equivalents of hynca in anhydrous THF and following crystallization from py/H₂O solution afforded borate ester derivative. The complex has been fully characterized by FT-IR in the solid state and by NMR (¹H and ¹³C) spectroscopy and electrospray ionization mass spectrometry in solution. The molecular structure of the title compound was determined by single crystal X-ray diffraction. Structure analysis of complex 1 confirmed the presence of an anionic complex [B(hyncaH₋₂)₂]⁻ in which boron atom is coordinated simultaneously by two hynca ligands utilising both alkoxide and carboxylate groups for bonding. The Na atom is six- coordinate to five O atoms of hydroxy carboxylic acid and one pyridine N atom. Crystal data: crystal system, monoclinic, a = 10.971(3) Å, b = 6.839(3) Å, c = 30.545(5) Å, β = 92.20(2)°, space group P2₁/c (#14), V = 2,290(1) Å³, Z = 4. Index Abstract  There are limited examples of alkali metal supported borate ester complexes.      

Crystal Structure of 4,7-Dichloro-1,2,3,5,6,8-hexakis-(4-methoxy-phenylsulfanyl)-acenaphthylene

Abstract  The title compound was prepared from the reaction of perchloroacenaphthylene with an excess of sodium salt of 4-methyloxythiophenol in toluene/ethanol (1:1) solvent and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the Monoclinic space group P2(1) with the parameters: a = 10.351(1) ?, b = 20.453(3) ?, c = 12.1837(16) ?, β = 105.584(3)°, V = 2484.5(6) ?³, with Z = 2 formula units. Graphical Abstract   The title compound 4,7-dichloro-1,2,3,5,6,8-hexakis-(4-methoxy-phenylsulfanyl)-acenaphthylene was synthesized from perchloroacenaphthylene C ₁₂ Cl ₈ with an excess of 4-methoxybenzene thiolate in toluene/ethanol (1:1) .     

Synthesis, Crystal Structure and Fluorescence Property of a Binuclear Zn(II) Complex: [Zn2(μ-N3)2(N3)2(L)2] [L?=?1-(1,10-phenanthrolin-2-yl)-2-pyridone]

Abstract  Hydrated zinc perchlorate reacted with sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone (L) in methanol solution and resulted in the formation of a new binuclear complex: [Zn₂(μ-N₃)₂(N₃)₂(L)₂]. The complex has been characterized by elemental analysis and IR spectrum, and its crystal structure determined by X-ray crystallography and the complex crystallizes in the monoclinic system with space group P2₁/c and a = 11.409(2), b = 8.0733(15), c = 18.163(3) Ǻ, β = 99.095(3)°. In the complex two azide anions act as bridge ligand and another two azide anion and two 1-(1,10-phenanthrolin-2-yl)-2-pyridone function as terminal ligands, and Zn(II) ion lies in a distorted triangle bipyramid geometry. Index Abstract  The title binuclear Zn(II) complex was synthesized by zinc perchlorate, sodium azide and 1-(1,10-phenanthrolin-2-yl)-2-pyridone and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that azide anion function as both bridge ligand and terminal ligand, and 1-(1,10-phenanthrolin-2-yl)-2-pyridone only acts as a terminal ligand.      

Two Mononuclear Compounds with bis(Pyrimidin-2-yl)amine as a Ligand and as a Hydrogen-bonded Lattice Molecule. Synthesis, Structure and Spectroscopy of {[M(dipm)(H2O)(A)](dipm)(A)(H2O)} (M?=?Cd with A?=?ClO4; and Zn with A?=?BF4)

Abstract  Two isostructural mononuclear compounds with formula {[Cd(dipm)(H₂O)(ClO₄)](dipm)(ClO₄)(H₂O)} (1) {[Zn(dipm)(H₂O)(BF₄)](dipm)(BF₄)(H₂O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared spectroscopy. The structure of compound 1 has been solved in the space group P2₁/n with a = 18.860(4), b = 8.579(2), c = 20.917(4) ?, β = 101.33(3)°, V = 3318.4(12) ?³, Z = 4 with final R = 0.0454. The structure of compound 2 has also been solved in the space group P2₁/n with a = 19.026(4), b = 8.389(1), c = 20.720(4) ?, β = 101.37(3)°, V = 3242.2(10) ?³, Z = 4 with final R = 0.0689. The geometry around the metal ions is octahedral, and is constituted by four nitrogen atoms from two dipm molecules, an oxygen atom from a water molecule and a semi-coordinating anion atom ( for compound 1 and for compound 2). In the lattice are also present: a non-coordinating water molecule, an anion molecule and a dipm molecule. For compound 1, the Cd–N distances are between 2.296 and 2.328 ?. The distance is 2.310 ? and the is 2.477 ?. The Zn–N distances in compound 2 are between 2.121 and 2.164 ?. The distance is 2.147 ? and the distance is 2.373 ?. A hydrogen bond interaction of the Watson–Crick type is observed between the amine N atom of a dipm ligand to a pyrimidyl N atom and a non-coordinating dipm ligand with N···N distances, which vary from 3.066(5) to 3.109(5) ?. Furthermore medium to strong hydrogen bond interactions are present between oxygen atoms of the water molecules and the anions of the compounds. Index Abstract  Two isostructural mononuclear compounds with formula {[Cd(dipm)(H₂O)(ClO₄)](dipm)(ClO₄)(H₂O)} (1) {[Zn(dipm)(H₂O)(BF₄)](dipm)(BF₄)(H₂O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared spectroscopy. . Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis, Crystal Structures and Properties of Two Copper (II) Complexes with Pyridazine Derivative Ligand

Abstract  Two new complexes, [Cu(L)₂(CH₃OH)] · (ClO₄)₂ (1) and [Cu(L)₂(H₂O)] · (NO₃)₂ (2), have been synthesized and their crystal structures have been determined by X-ray analysis, where L = 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine]. The complex 1 crystallizes in the monoclinic, space group C2/c, and the coordination configuration of copper (II) is better described as trigonal pyramidal geometry with four N atoms from L and one O_methanol^. The coordination configuration of 2 is quite similar to that of 1 except O_water instead of O_methanol^. The intermolecular hydrogen bonds link the repeat units and extend the molecules to multinuclear structures in both compounds. The spectral properties of the title compounds have been studied and discussed. Furthermore, the antibacterial activities of the title compounds have been detected, the results indicate that the ligands and two copper(II) complexes exhibit certain fungicidal activities again several bacteria. Index Abstract  Two new complexes, [Cu(L)2(CH3OH)]·(ClO4)2 (1) and [Cu(L)2(H2O)]·(NO3)2 (2), have been synthesized and their crystal structures have been determined by X-ray analysis, where L= 3-(3,5-bimethylpyrazole-yl)-6-chloro-pyridazine. The intermolecular hydrogen bonds extend the molecules to multinuclear structures in both compounds.      

Synthesis,Characterization and Crystal Structure of Bis(isothiocyanato)-bis(pyridine) Zinc(II) Crystal

Abstract  Bis(isothiocyanato)-bis(pyridine) zinc(II) crystal has been prepared at room temperature and characterized by elemental analysis, IR spectrum and X-ray single crystal determination. The complex crystallizes in monoclinic space group P2₁/m with unit cell parameters: a = 5.5786(3), b = 11.0587(5), c = 12.1616(6) ?, β = 96.776(3)°, V = 745.03(6) ?³, Z = 2, D _x  = 1.514 g cm⁻³. The X-ray structure determination has revealed that the crystal is centered-symmetrical and the crystallographic symmetry face runs the two isothiocyanate ligands and the Zn(II) cation. Index Abstract  The title compound, bis(isothiocyanato)-bis(pyridine) zinc(II), was synthesized by zinc compound, KSCN and C₅H₅N (pyridine) and its crystal structure was determined. Single crystal X-ray structure determination reveals that the crystal is centered-symmetrical, and the crystallographic symmetry face runs the two isothiocyanate ligands and the Zn(II) cation.      

The First Coordination Compound with 5-methylisoxazole-3-carboxylate: Synthesis and Structural Characterization of [Cu(L<Subscript>2</Subscript>)(H<Subscript>2</Subscript>O)] · H<Subscript>2</Subscript>O

Abstract  The title compound, aquabis(5-methylisoazole-3-carboxylato-O,N)copper(II) monohydrate, [Cu(L₂)(H₂O)] · H₂O is synthesized and characterized by X-ray diffraction, elementary analysis, and IR. The ligand coordinates to the copper center in a bidentate O,N fashion through the carboxylic acid moiety and the heteroaromatic nitrogen atom. The complex crystallizes in the triclinic space group with unit cell parameters a = 8.4080(12)?, b = 8.810(3), c = 10.318(2)?, α = 110.08(3)°, β = 104.81(2)°, γ = 103.149(16)°, V = 650.9(3)?³, Z = 2. In addition, the synthesis of the free acid 5-methylisoazole-3-carboxylic acid and pyridine containing complex bis(5-methylisoazole-3-carboxylato)bispyridinecopper(II) monohydrate is described. Index Abstract  Synthesis and crystal structure of aquabis(5-methylisoazole-3-carboxylato-O,N)copper(II)monohydrate. The first coordination compound of 5-methylisoxazole-3-carboxylic acid.      

Synthesis and Crystal Structure of a Novel Self-assembled 2D Coordination Polymer of Chloridobis(imidazolidine-2-thione)thiocyanato dicopper(I)

Abstract  A copper(I) complex, poly(chloridobis(imidazolidine-2-thione)thiocyanato dicopper(I)), [Cu₂(Imt)₂(SCN)Cl] _n (1) (Imt = Imidazolidine-2-thione) has been prepared by the reaction of CuCl₂ with imidazolidine-2-thione and potassium thiocyanate in the ratio of 1:1:2. Compound 1 crystallizes in the monoclinic space group P2₁/a in the form of a coordination polymer, consisting of 2D layers. The solid-state structure is composed of dinuclear units having each copper(I) ion tetrahedrally coordinated. These units aggregate through bridging Imt and thiocyanate leading to a supramolecular 2D-network. Index Abstract  The title complex, poly(chloridobis(imidazolidine-2-thione)thiocyanato dicopper(I)), [Cu₂(Imt)₂(SCN)Cl] _n (Imt = Imidazolidine-2-thione) was prepared by the reaction of CuCl₂ with imidazolidine-2-thione and potassium thiocyanate in the ratio of 1:1:2. The crystal structure consists of dinuclear units having each copper(I) ion tetrahedrally coordinated. These units aggregate through bridging Imt and thiocyanate leading to a supramolecular 2D-network.      

Synthesis and Crystal Structure of a Polymorph of the DMF Solvate of the Dicoppertetracarboxylate Paddlewheel Complex Cu<Subscript>2</Subscript>(p-aminobenzoate)<Subscript>4</Subscript>(DMF)<Subscript>2</Subscript>

Abstract  Reaction between p-aminobenzoic acid (HpABA) and Cu(NO₃)₂ · 2.5H₂O in basic MeOH/DMF affords green crystals of the dicopper paddlewheel complex, Cu₂(pABA)₄(DMF)₂ · 2DMF, 1, identified by single crystal X-ray crystallography: triclinic P-1, with a = 10.3728(2) ?, b = 10.617(2) ?, c = 11.128(2) ?, α = 81.705(3)°, β = 79.984(2)°, γ = 65.965(2)° and Z = 2. The crystal structure of 1 reveals that it is the second polymorph of Cu₂(pABA)₄(DMF)₂ · 2DMF and experiments on the stability of 1 indicate that it can be converted to Form I through desolvation followed by exposure to DMF. Graphical Abstract  Crystal structure of a polymorphic discrete dicoppertetracarboxylate is investigated for the conversion between the two forms influenced by hydrogen bonds.      

The Synthesis and Crystal Structure of New Bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol

Abstract  The title compound bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol 8 has been synthesized and established by H NMR, IR and MS spectra and X-ray diffraction crystallography. Compound 8, C₂₃H₂₉Cl₂N₃O, Mr = 424.31, crystallizes in the monoclinic space group P2₁/c with unit cell parameters a = 14.5402(6) ?, b = 12.5888(5) ?, c = 11.6510(5) ?, α = 90o, β = 100.183o(2), γ = 90o, V = 2099.05(15) ?³, D_x = 1.343 mg m⁻³ and Z = 4. The final R was 0.0514. The molecular conformation and packing is stabilized by interactions of intermolecular O1–H1···N3′. Index Abstract  The structure of bis(3-chlorophenyl)-[5-methyl-1-(4-methylphenyl)-1,2,3-triazol-4-yl]-methanol by the reaction of compound 4 and Grignard regent is studied.      

Solvothermal Synthesis and Crystal Structure of a 18-Membered Macrocycle Schiff Base Dinuclear Copper(II) Complex: Cu2(NO3)4(APTY)4 (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one)

Abstract  A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu₂(NO₃)₄(APTY)₄ (1) (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one), has been successfully synthesized by solvothermal treatment of Cu(NO₃)₂ · 6H₂O with APTY. Compound 1 crystallizes in the triclinic space group P-1 with cell parameters: a = 10.556(2) ?, b = 12.075(2) ?, c = 15.230(3) ?, α = 74.75(3), β = 81.50(3), γ = 70.60(3)°, V = 1762.7(6) ?³, R1 = 0.0493, wR2 = 0.1400, Z = 1, D _calc = 1.455 g/cm³, F(000) = 798, S = 1.009. In the compound molecules, each of the six-coordinated Cu^II atoms are bridged by APTY ligands into 18-membered macrocycle, and each the Cu²⁺ atoms exhibits a significantly distorted octahedral geometry. The crystal packing is stabilized by C–H···O hydrogen-bonding interactions into a three-dimensional supramolecular framework. Index Abstract  A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu₂(NO₃)₄(APTY)₄ (1), has been successfully synthesized by solvothermal treatment (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-dihydro-3H-pyrazol-3-one). The six-coordinated Cu²⁺ atom exhibit significantly distorted octahedral geometry. The crystal packing is stabilized by C–H···O hydrogen-bonding interactions into a three-dimensional supramolecular framework.     

Crystal Structure of N-(tert-Butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)cyclohexane Carboxamide

Abstract  The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been determined. The title compound crystallized in the orthorhombic space group pbca with cell parameters, a = 10.6556(6) ?, b = 18.0132(11) ?, c = 19.5513(12) ?, v = 3752.7(4) ?³, Z = 8, D _cal = 1.269 Mg/m³ at T = 120 K. The structure refined by full-matrix least-squares procedures to find R ₁ = 0.0463 and wR ₂ = 0.0937 for 3059 reflections. The soxazole ring isn’t coplanar with the phenyl ring. Index Abstract  The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been studied.