Crystal of Tetrakis(1-ethyl-1H-imidazole)diisothiocyanatocopper(II) bis(1-ethyl-1H-imidazole)diisothiocyanatocopper(II)

Abstract  A new complex [Cu(NCS)₄ (N-Eim)₄] [Cu(NCS)₂ (N-Eim)₂] (where N-Eim = N-ethylimidazole) has been synthesized and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the Triclinic space group P−1 with the parameters: a = 8.7707(18) ?, b = 10.712(2) ?, c = 13.511(3) ?, α = 104.73(3)°, β = 104.84(3)°, γ = 102.52(3)°, V = 1131.54(3) ?³, with Z = 1 formula units. In the structure, the copper atoms all assume an elongated octahedral geometry with two distinct coordination environments; one is coordinated by four N-ethyl-imidazole ligands and two axial SCN groups, and another by two SCN groups and two N-ethyl-imidazole ligands. The two units form one infinite 1D zigzag chain along the [1 0 1] plane by two thiocyanate ligands from the [Cu(NCS)₄ (N-Eim)₄] units. Index Abstract  The title compound, tetrakis(1-ethyl-1H-imidazole)diisothio cyanatocopper(II) bis(1-ethyl-1H-imidazole)diisothiocyanatocopper(II) has been synthesized and structurally characterized by single-crystal X-ray diffraction. In the structure, the copper atoms all assume an elongated octahedral geometry with two distinct coordination environments. The two units form one infinite 1D zigzag chain along the [1 0 1] plane by two thiocyanate ligands from the [Cu(NCS)₄ (N-Eim) 4] units.      

Synthesis and Crystal Structure of a Mixed-Ligand Cobalt(II) Complex with 2-Aminobenzimidazole

Abstract  The cobalt(II) complex, [Co(abz)₂(SCN)₂] 1, has been synthesized by the reaction of cobalt(II) nitrate with ammonium thiocyanate and abz ligands (abz = 2-aminobenzimidazole), and was fully structurally characterized by elemental analysis, IR spectra, X-ray diffraction and thermogravimetric experiments. It crystallizes in the triclinic P-1 space group with a = 8.6316(10), b = 9.3426(10), c = 13.254(2) ?, α = 95.793(2), β = 95.870(2), γ = 115.7380(10), V = 945.1(2) ?³, and Z = 2. The central cobalt(II) atom is four-coordinated to nitrogen donors from two neutral abz ligands and two isothiocyanate anions respectively, adopting a slightly distorted tetrahedral geometry. In addition, the intermolecular N–H···N and N–H···S hydrogen bonds interactions link the discrete mononuclear units into infinite three-dimensional networks. Index Abstract  The essence sentence of the paper: In the mixed-ligand mononuclear complex, [Co(abz)₂(SCN)₂], the four coordinated cobalt(II) atom exhibits a slightly distort tetrahedron, which is further assembled into 3D infinite network by intermolecular hydrogen interactions.      

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.      

Synthesis and Single Crystal X-Ray Structure of [Na(H2O)2(C18H15O6SO3)]2

Abstract  [Na(H₂O)₂(C₁₈H₁₅O₆SO₃)]₂ was synthesized by sulfated 5-hydroxy-6,7,4′-trimethoxyisoflavone with concentrated sulfuric acid. Single-crystal X-ray diffraction study indicates that it is a dimeric centrosymmetric species. The coordination polyhedron of each Na(I) atom exhibits a distorted trigonal bipyramidal geometry. The dimeric units are linked by intermolecular hydrogen bonds C–H⋯π, C–H⋯O and O–H⋯O to result in a three-dimensional framework. Graphical Abstract  [Na(H₂O)₂(C₁₈H₁₅O₆SO₃)]₂ was synthesized by sulfated 5-hydroxy-6,7,4′-trimethoxyisoflavone with concentrated sulfuric acid. The coordination polyhedron of each Na(I) atom exhibits a distorted trigonal bipyramidal geometry. The dimeric centrosymmetric units are linked by intermolecular hydrogen bonds C–H⋯π, C–H⋯O and O–H⋯O to result in a three-dimensional framework. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

A Unique Example of a Co-crystal of [Co(AMTTO)2(H2O)2](NO3)2 and [Co(AMTTO)2(CH3CN)2](NO3)2 (AMTTO = 4-amino-5-methyl-1,2,4-triazol-3(2H)-thione)

A co-crystal of cobalt(II) complexes, Co(AMTTO)₂(CH₃CN)₂]²⁺(NO₃)₂. [Co(AMTTO)₂(H₂O)₂]²⁺(NO₃)₂, compound (1) was isolated from the reaction of Co(NO₃)₂?6H₂O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine (AMTTO) in acetonitrile as solvent. Isolated crystals were characterized by elemental analyses, IR spectroscopy as well as X-ray diffraction studies. Crystal data for 1 at 95 K revealed a monoclinic space group P2₁/n, a?=?11.7903(5), b?=?12.1279(5), c?=?14.1443(6) Å, β?=?99.244(4)°, Z?=?2, R₁?=?0.0339. Compound 1 consists of two co-crystallized Co(II) complexes [Co(AMTTO)₂(CH₃CN)₂]²⁺ and [Co(AMTTO)₂(H₂O)₂]²⁺ and four nitrate counter anions In both complexes, cobalt(II) ions are in an octahedral arrangement. Two S, N bidentate AMTTO ligands are coordinated to both Co(II) ions. The coordination sphere of Co1 is completed by two acetonitrile molecules, and these positions are occupied by water molecules for Co2.

Graphic Abstract

A co-crystal of cobalt(II) compound was isolated from the reaction of Co(NO₃)₂?6H₂O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine in acetonitrile as solvent.

     

Synthesis and Characterization of Bis(methyl-2-pyridylmethylidenedrazinecarbodithioate)manganese(II)

Abstract  Brown crystals of title compound, bis(methyl-2-pyridylmethylidene-drazinecarbodithioate)manganese(II), was formed by reaction of methyl-2-pyridylmethylidenehydrazinecarbodithioate(HNNS) with manganese perchlorate at 323 K temperature and recrystallized from ethanol at room temperature, crystallizing in the monoclinic system, space group P2(1)/n, with a = 11.631(2), b = 14.010(3), c = 13.128(3) ?, β = 105.791(11)°; V = 2058.6(7)  ?³, D _c  = 1.533 g/cm³, Z = 4, C₁₆H₁₆N₆MnS₄, M _r  = 475.53, μ(M₀ K _α ) = 1.060 mm⁻¹, F (000) = 972. The structure was refined to R = 0.0441, wR = 0.1196 for 3,682 (I > 2σ(I)) reflections and S = 1.110. In title complex the coordination geometry about manganese is distorted octahedral and the two ligands in the mer configuration (S and tertiary N atom cis to each other and the iminic N atoms trans). Furthermore, the neutral molecule units Mn^II(NNS)₂ are connected by hydrogen bonds C–H···N and C–H···S and form a three dimensional ordered network structure. Graphical Abstract  The title compound, Mn(NNS)₂, exists as discrete molecules in which the central MnII atom is coordinated by two S atoms and four N atoms from two ligands NNS- molecules in a mer-octahedral configuration. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

The Preparation, Characterization and X-ray Structural Analysis of Tetrakis[1-Methyl-3-(2-Propyl)-2(3H)-Imidazolethione]Cadmium(II) Hexafluorophosphate

Abstract  A new compound, [Cd(mipit)₄][PF₆]₂ has been synthesized and characterized via standard solid and solution state methods including single crystal X-ray crystallography (mipit = 1-methyl-3-(2-propyl)-2(3H)-imidazolethione). The title compound crystallizes in tetragonal space group I4 ₁ /a with a = 12.478(2) ?, b = 12.478(2) ?, c = 28.806(6) ?, and Z = 4. The complex is a high melting, colorless solid that has a distorted tetrahedral CdS₄ coordination geometry. Thermogravimetric analysis results for the title compound as well as for another potential CdS synthon and two potential CdSe synthons are reported. Graphical Abstract  The synthesis and characterization of the title compound, a new ionic homoleptic cadmium complex, tetrakis[1-methyl-3-(2-propyl)-2(3H)-imidazolethione]cadmium(II) hexafluorophosphate is reported. The results of a single crystal X-ray diffraction analysis reveal a distorted tetrahedral CdS₄ coordination sphere about the cadmium. 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 and Crystal Structure of a Polymeric Cobalt(II) Complex with 1,2-bis(1,2,4-triazol-1-yl)ethane

Abstract The title complex [Co₂(bte)₃(NCS)₄(H₂O)₂] _n (bte = 1,2-bis(triazol-1-yl)ethane) has been prepared. Single-crystal X-ray analysis reveals that the complex crystallizes in space group P ī with a = 7.7962(2), b = 8.3407(4), c = 14.7735(5) ?, α = 86.835(2), β = 76.2031(9), γ = 80.583(3)°. The crystal consists of two discrete complexes, [Co(bte)(NCS)₂(H₂O)₂] and [Co(bte)₂(NCS)₂]. The structure of [Co(bte)(NCS)₂(H₂O)₂] consists of neutral chain containing Co(II) bridged by bte molecules. The six-co-ordination of Co²⁺ is achieved by means of two trans NCS⁻ ions and water molecules. The structure of [Co(bte)₂(NCS)₂] demonstrates a one-dimensional neutral chain through bte-bridge, in which the Co(II) atom is in a distorted octahedral environment formed by four nitrogen atoms of the triazoles and two nitrogen atoms from two trans thiocyanato liagnds. Index abstract Synthesis and Crystal Structure of a Polymeric Cobalt(II) Complex with 1,2-bis(1,2,4-triazol-1-yl)ethane This paper reports the synthesis and crystal structure of complex [Co₂(bte)₃(NCS)₄(H₂O)₂]_n (bte = 1,2-bis(triazol-1-yl)ethane), which consists two different neutral chains containing Co(II) bridged by bte molecules.      

Crystal Structure of the Dihydrogen Phosphate Salt of Ozagrel (ozagrel=(E)-3-[4-(1H-Imidiazol-1-ylmethyl)phenyl]-2-Propenic Acid)

Abstract  Ozagrel, (E)-3-[4-(1H-Imidiazol-1-ylmethyl)phenyl]-2-propenic acid, crystallizes with phosphoric acid from aqueous solution to give the dihydrogen phosphate salt of ozagrel which crystallizes in the orthorhombic space group P2₁2₁2₁ with a = 4.6901(14), b = 8.929(4), c = 34.558(13) ?, V = 1447.2(9) ?³, Z = 4, C₁₃H₁₅N₂O₆P, M _r  = 326.24, D _c  = 1.497 g/cm³. In the crystal structure, phosphate anions interact with ozagrel through two kinds of hydrogen bonds forming a 1D hydrogen-bonded chain. Phosphate anions are hydrogen-bonded to each other through supramolecular synthon R₃³(12) forming a 1D double-chain structure which links ozagrel molecules into a 3D structure. Index Abstract  In crystal structure of the title compound, phosphate anions interact with ozagrel through two kinds of hydrogen bonds forming a 1D hydrogen-bonded chain. Phosphate anions are hydrogen-bonded to each other through supramolecular synthon R₃³(12) forming a 1D double-chain structure which links ozagrel molecules into a 3D structure.      

Synthesis and Crystal Structure of the Hydrated Nickel(II) Complex of Tartrate

Abstract  A new dinuclear hydrated nickel(II) tartrate has been isolated and structurally characterized by single-crystal X-ray diffraction. The title compound formulated as [Ni₄(C₄H₄O₆)₄(H₂O)₈](EtOH)_0.5(H₂O)_10.25 (C₁₇H_55.5Ni₄O_42.75) crystallizes in monoclinic system, space group P2(1)/c with a = 13.684(5), b = 17.143(6), c = 18.586(6) ?, β = 96.638(6)°, V = 4331(3) ?³, Z = 4. The unit cell contains two crystallographic independent dimeric units of [Ni₂(C₄H₄O₆)₂(H₂O)₄] without significant structural difference, half of menthol molecule and ten and a quarter packing water molecules. In each dimeric unit, one (R,R)-tartrato dianion chelates two Ni(II) ions by the use of two hydroxy oxygen and two carboxyl oxygen atoms as donor atoms, and another tartrato dianion chelates the same pair of Ni(II) cations in the same way. Each Ni(II) atom is six-coordinated by six O atoms from two tartrate units and two water molecules. Index Abstract  The crystal structure of complex [Ni₄(C₄H₄O₆)₄(H₂O)₈](EtOH)_0.5(H₂O)_10.25 contains two crystallographic independent dimeric units of [Ni₂(C₄H₄O₆)₂(H₂O)₄] without significant structural difference. In each dimeric unit, one (R,R)-tartrato dianion chelates two Ni(II) ions by the use of two hydroxy oxygen and two carboxyl oxygen atoms as donor atoms, and another tartrato dianion chelates the same pair of Ni(II) cations in the same way.      

Synthesis and Crystal Structure of a Novel Mixed Ligand Cadmium(II) Complex of Benz-1,3-Thiazoline-2-Thione and 1,10-Phenanthroline

Abstract  A novel cadmium complex [Cd(C₇H₄NS₂)₂(phen)] was synthesized by the reaction of a polymeric complex, [Cd(C₇H₄NS₂)₂] _n , with 1,10-phenanthroline (phen) as a ligand. The crystal structure was determined by single-crystal X-ray diffraction. The crystallographic data are: triclinic , a = 8.3670(6) ?, b = 10.9898(8) ?, c = 17.1404(13) ?, α = 95.567(2)o, β = 95.881(2)o, γ = 109.034(1)o, V = 1471.26(19) ?³ and Z = 2. The final R value is 0.0375 for 7154 reflections. The compound [Cd(C₇H₄NS₂)₂(phen)] is monomeric revealing a coordination sphere of N₄S₂ type. The Cd atom is surrounded by two thiazole N atoms, two exocyclic S atoms from two bidentate 1,3-benzothiazole-2-thiolate anions and two 1,10-phenanthroline N atoms. The Cd cation is six-coordinate with a distorted octahedral geometry. Graphical Abstract  The synthesis and crystal structure of a novel monomeric complex ‘[Cd(C₇H₄NS₂)₂(phen)]’ obtained by the reaction of polymeric complex, [Cd(C₇H₄NS₂)₂] _n , with 1,10-phenanthroline is reported.      

The Structure and Characterization of [1,11-Bis(2-Hydroxybenzyl)-1,4,8,11-Tetraazaundecane]Iron(III) Perchlorate

Abstract  The structure of an Fe(III) complex of reduced Schiff base is reported. The title compound, C₂₁H₃₀ClFeN₄O₆ (I), crystallizes in the monoclinic space group P2₁/n with cell constants: a = 9.988(2) ?, b = 20.430(5) ?, c = 11.415(3) ?, β = 105.480(4)°. It contains a six-coordinate FeN₄O₂ cation where the ligand is a reduced Schiff base resulting from the NaBH₄ reduction of the condensation product between salicylaldehyde and 1,4,8,11-tetraazaundecane. Due to the increased flexibility of the saturated backbone of the ligand compared to the Schiff base from which it was synthesized, the complex adopts a trans-FeN₄O₂ conformation. There is extensive hydrogen bonding between the amine H atoms and the anion O atoms. Index Abstract  The structure of an Fe(III) complex of reduced Schiff base is reported which adopts a trans-FeN₄O₂ conformation where the ligand is a reduced hexadentate Schiff base resulting from the NaBH₄ reduction of the condensation product between salicylaldehyde and 1,4,8,11-tetraazaundecane.      

Carbonyl Displacement Reaction in Diiron Propane-Dithiolate Complex by Triphenylstibine: Crystal Structure of [Fe2(CO)6-n(SbPh3)n(μ-S2C3H6)] (n = 1 and 2)

Treatment of [Fe₂(CO)₆(μ-S₂C₃H₆)] (1) with triphenylstibine in a 1:1 molar ratio at room temperature in presence of Me₃NO resulted compound [Fe₂(CO)₅(SbPh₃)(μ-S₂C₃H₆)] (2) in 88% yield as red crystals. When the reaction was carried out under a 1:5 molar ratio in presence of Me₃NO, it resulted a monosubstituted compound [Fe₂(CO)₅(SbPh₃)(μ-S₂C₃H₆)] (2) in 63% yield along with a disubstituted compound [Fe₂(CO)₄(SbPh₃)₂(μ-S₂C₃H₆)] (3) in low yield (8%) as red crystals. Reaction of 2 with triphenylstibine in a 1:5 molar ratio under same condition resulted 3 in moderate yield (46%). Compounds 2 and 3 were characterized by elemental analyses, IR, ¹H NMR and ¹³C NMR spectroscopic data. Crystal structures of the compounds were unambiguously determined by single crystal X-Ray diffraction studies. Compound 2 crystalized as monoclinic crystal system with the space group P2₁/c, a?=?9.464(4) Å, b?=?16.902(7) Å, c?=?17.081(7) Å, β?=?101.216(13)° and Z?=?4. Compound 3 was triclinic, space group P-1, a?=?9.552(3) Å, b?=?13.985(5) Å, c?=?16.487(6) Å, α?=?78.372(16)°, β?=?89.976(14)°, γ?=?71.638(11)° and Z?=?2.

Graphic Abstract

Two new diiron propane-1,3-dithiolate complexes, [Fe₂(CO)₅(SbPh₃)(μ-S₂C₃H₆)] (2) and [Fe₂(CO)₄(SbPh₃)₂(μ-S₂C₃H₆)] (3), were synthesized by the displacement of carbonyl groups from [Fe₂(CO)₆(μ-S2C₃H₆)] (1) with triphenylstibine, and the resulting complexes were structurally characterized.

Solid state molecular structure of compound 2 (left) and compound 3 (right)

     

Crystal Structure of the Tunnel-like Supramolecular Complex: Methylviologen(2+) Octaaquaoxalatodiiron(II) Disulfate

Abstract  The 3D supramolecular complex, (C₁₂H₁₄N₂)[Fe(II)₂(C₂O₄)(OH₂)₈] · 2(SO₄)²⁻, is monoclinic, P2₁/n, with the following cell parameters: a = 8.0413(16) ?, b = 17.272(4) ?, c = 9.806(2) ?, β = 106.25(3)°, V = 1307.6(5) ?³, Z = 2, R ₁ = 0.0344, and wR ₂ = 0.0763. X-ray crystallography revealed that the structure can be regarded as a hydrogen-bonded tunnel-like supramolecule with the methylviologen lying in the tunnel as the charge compensating cation. The multiple intermolecular hydrogen bonds between the octaaquaoxalatodiiron cations and the isolated sulfate ions link the supramolecular complex into a quasi-three-dimensional open-framework structure. Graphical Abstract  Crystal Structure of the Tunnel-like Supramolecular Complex: Methylviologen(2+) Octaaquaoxalatodiiron(II) Disulfate Xin Yang, Jiang Li, Shenyi Shi, Yawei Hou and Yongkui Shan A hydrogen-bonded tunnel-like supramolecular structure with the methylviologen lying in the tunnel as the charge compensating cation has been synthesized for the first time.      

Crystal Structure of bis(18-Crown-6)-bis(formato-O) dicaesium dihydrate

Abstract  The crystal structure of the title compound, [2Cs⁺(C₁₂H₂₄O₆)₂(CHO₂ ⁻)₂(H₂O)₂], was determined by an X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P2₁ /n with cell parameters a = 10.4278(7) ?, b = 10.0183(5) ?, c = 18.2383(12) ?, β = 93.723(5)°, V = 1910.3(2) ?³ and Z = 2. The Cs cations are bonded to each of the six O atoms of a crown ether ring, two water molecules, and one O atom of a formato anion. As a result of that, a centrosymmetric dimeric dinuclear complex is formed. The two halves of the dimer are connected by a ring of formato anions and water molecules which are linked by O–H···O hydrogen bonds. Index Abstract  The title compound, bis(18-crown-6)-bis(formato-O), caesium dihydrate, features a centrosymmetric dimeric dinuclear complex where two Cs cations are coordinated by six O atoms of a crown ether ring. The two halves of this complex are held together by a ring of formato anions and water molecules which are linked by hydrogen bonds.      

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.      

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) .     

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.      

X-ray Crystal Structure of Trans -UO2(N(SiMe3)2)2(THF)2: One in a Series of Uranyl(VI) Complexes Supported by Bis(trimethylsilyl)amido Ligands

Abstract The title compound trans-UO₂(N(SiMe₃)₂)₂(THF)₂ (1) was synthesized and characterized by X-ray crystallography. The complex crystallizes in the monoclinic space group C2/c (#15) with lattice parameters a = 16.0771(5) ?, b = 13.1196(4) ?, c = 16.9391(6) ?, β = 116.853(1)°, V = 3187.61(18) ?³, Z = 4, D _calc = 1.532 g cm^-3. The six-coordinate uranium(VI) center adopts an all-trans octahedral geometry consisting of mutually trans oxo groups, silylamido ligands, and neutral THF donors. Structural comparisons of this uranyl(VI) bis(amido) complex with a related tris(amido) derivative within the series are made based on symmetry, charge, and coordination number. Graphical Abstract The X-ray crystal structure of the title complex is reported, providing comparisons based on symmetry, charge, and coordination number with a related uranyl(VI) amido derivative within this series.