Synthesis and Crystal Structure of a 1D Coordination Polymer [Cd(pydc)(phen)]<Subscript>n</Subscript> (H<Subscript>2</Subscript>pydc = pyridine-2,3-dicarboxylic acid,phen = 1,10-phenanthroline)

Abstract  A new 1D coordination polymer, [Cd(pydc)(phen)]_n (1) (pydc = pyridine-2,3-dicarboxylic acid, phen = 1,10-phenanthroline), has been hydrothermally synthesized and characterized by the elemental analysis, IR spectroscopy and single crystal X-ray diffraction. X-ray diffraction analysis reveals that 1 (C₁₉H₁₁CdN₃O₄) crystallizes in triclinic space group P-1, features an interesting 3D zipper-like network constructed from 1D ribbons via π–π stacking interactions. Unit cell parameters for 1: a = 7.681(1) ?, b = 10.546(2) ?, c = 11.358(2) ?, α = 107.12(2)°, β = 99.50(2)°, γ = 109.12 (2)° and Z = 2. Index Abstract  The title compound, [Cd(pydc)(phen)]n (1) (pydc = pyridine-2,3-dicarboxylic acid, phen = 1,10-phenanthroline), has been hydrothermally synthesized and characterized. X-ray diffraction analysis reveals that 1 features an interesting 3D zipper-like networks constructed by 1D ribbons via π–π stacking interactions.      

Synthesis and Crystal Structure of a New Binuclear Samarium Complex with Salicylate

Index Abstract  In the dinuclear compound (HPhen)₂[Sm₂(Hsal)₈(H₂O)₂] · 2H₂O (Hsal = o-HOC₆H₄CO₂ ⁻, Phen = 1,10-phenanthroline), intermolecular hydrogen bonds and π–π stacking interactions between parallel aromatic rings result in the formation of a two-dimensional supramolecular network.      

Crystal and Molecular Structures of C6H5CH2SOCH2CONHCH2C6H5 and C6H5SOCH2CON(iC3H7)2

Abstract  The crystal structures for two of the ligands C₆H₅CH₂SOCH₂CONHCH₂C₆H₅ (1) and C₆H₅SOCH₂CON(ⁱC₃H₇)₂ (2) have been determined by X-ray diffraction. These compounds crystallize in orthorhombic system with space groups and cell parameters, Pca21(no. 29), a = 8.4600(5) ?, b = 5.3534(5) ?, c = 32.136(2) ?, V = 1455.42(15) ?³ and Pna21(no. 33) a = 17.5563(11) ?, b = 5.7902(4) ?, c = 14.2866(9) ?, V = 1452.30(16) ?³, respectively. These molecules are stabilized in solid state by various intra and intermolecular hydrogen bonding interactions to give polymeric structures. The reported IR spectra of these compounds in solid state could be explained on the basis of the observed intermolecular hydrogen bonding interactions. Index Abstract  The title compounds C₆H₅CH₂SOCH₂CONHCH₂C₆H₅ (1) and C₆H₅SOCH₂CON(ⁱC₃H₇)₂ (2) were prepared by the oxidation of corresponding sulfides with H₂O₂/SeO₂ in methanol and their structures were determined. The structures show that the SO and CO groups are having “anti” configuration in 1 and “syn” configuration in 2. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Synthesis and Crystal Structure of Heptyl 3-(3,4-dihydroxyphenyl)-2-propenoate

Abstract  The title compound, C₁₆H₂₂O₄, synthesized by modified Knoevenagel condensation of protocatechualdehyde with monoheptyl-malonate and recrystallized from benzene, was confirmed by single-crystal X-ray diffraction (CCDC 272827). The compound crystallizes in triclinic space group Pī with cell parameters a = 5.296(3) ?, b = 10.711(13) ?, c = 13.870(4) ?, α = 98.84(7)°, β = 90.97(4)°, γ = 96.77(7)° and Z = 2. The structure is the E isomer and its packing is stabilized by intermolecular O–H···O and C–H···O hydrogen bonds. Index Abstract  The title compound, C₁₆H₂₂O₄, synthesized by modified Knoevenagel condensation, was confirmed by single-crystal X-ray diffraction showing its structure is in E isomer and its packing is stabilized by hydrogen bonds.      

Synthesis,Crystal Structure and IR Spectra of Complexes of Mn(II) by Indole-2-Carboxylic or Isoquinoline-1-Carboxylic Acids and 1,10-Phenanthroline

Abstract  

Two ternary complexes of manganese(II) indole-2-carboxylate (2-IC⁻) or isoquinolinecarboxylate (IQC⁻) with 1,10-phenanthroline (phen) in methanol or in dimethylacetamide (DMA) were synthesized and studied by X-ray diffraction and IR spectra. [Mn(C₉H₆NO₂)₂(C₁₂H₈N₂)₂]·CH₄O (1) crystallizes in the triclinic space group P-1 with cell parameters of a = 10.548(2) ?, b = 14.168(3) ?, c = 14.580(3) ?, α = 62.35(2)°, β = 69.16(2)°, γ = 78.61(2)°, V = 1802.4(6) ?³ and Z = 2; [Mn(C₁₀H₆NO₂)₂(C₁₂H₈N₂)].C₄H₉NO (2) crystallizes in the monoclinic space group P2₁/a with cell parameters of a = 15.304(5) ?, b = 12.871(5) ?, c = 17.421(5) ?, β = 114.39(1), V = 3125(2) ?³ and Z = 4. In 1, Mn is six-coordinate by two bidentate phen ligands and two 2-IC⁻ ligands and exhibits a very distorted octahedral geometry. This complex is solvated by methanol involved in hydrogen bonding. In 2, Mn atom is surrounded by one bidentate phen ligand and two bidentate IQC⁻ ligands. The complex exhibits a distorted octahedral geometry around the Mn^II atom. The crystal structure is completed by a disordered DMA solvate molecule. The IR spectra of both compounds are slightly different in the range 4000–2400 cm⁻¹ which may be attributed to hydrogen bond lack in 2.     

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.      

A Facile Synthesis and Crystallographic Analysis of Seven Trityl Phosphorus Compounds and Two Nickel(II) Phosphine Side-Products

Abstract  The syntheses and X-ray analyses of triphenylmethyl (trityl=Tr) phosphorus compounds are reported and the structural similarities, differences and ³¹P chemical shifts compared. A series of seven trityl-substituted phosphorus-containing compounds have been characterized by single crystal X-ray diffraction. Ph₃CPPh₂, 1, a bulky P(III) compound crystallizes in the triclinic space group , a = 7.5624(6) ?, b = 9.5470(8) ?, c = 16.9722(14) ?, α = 83.4720(10)°, β = 80.541(2)°, γ = 68.1580(10)°, the borane complex of 1, 2, Ph₃CPPh₂(BH₃) crystallizes as monoclinic colorless crystals, P2₁/c, a = 10.0972(12) ?, b = 9.6955(12) ?, c = 25.197(3) ?, β = 90.258(2)°. The analogous methyl substituted, 3, Ph₃CPMe₂(BH₃) is monoclinic, C₂/c, a = 15.628(3) ?, b = 12.770(3) ?, c = 18.406(4) ?, β = 103.968(3)°. Compounds 4–7 are trityl substituted P(V) compounds: Ph₃CP(Ph)(O)(OH), 4, crystallizes in the triclinic space group , a = 8.9847(18) ?, b = 9.7443(19) ?, c = 12.786(3) ?, α = 72.045(3)°, β = 72.031(3)°, γ = 78.769(3)°. Esterification of 4 affords TrCP(O)(Ph)OBn 5, space group, P2₁/c, a = 7.9196(5) ?, b = 31.701(2) ?, c = 19.8062(13) ?, β = 99.7750(10)°. A phosphonate diester was also characterized, Ph₃CP(O)(OEt)₂, 6, triclinic, , a = 7.9521(17) ?, b = 9.2205(19) ?, c = 14.471(3) ?, α = 85.906(4)°, β = 83.031(4)°, γ = 68.283(4)°. Treatment of the trityl H-phosphinic acid, Ph₃CPO₂H_2, with elemental selenium yields yellow crystals of 7, [Ph₃CP(O)(OH)Se]_2, P2₁/c, a = 9.0603(4) ?, b = 22.3652(11) ?, c = 16.9134(7) ?, β = 107.035(2)°. In our efforts to isolate a nickel-phosphine complex, two Ni(II) complexes were crystallographically analyzed, [Ni(OP(H)Ph₂)₆]₂BF₄ ⁻ 8 and 9. Complex 8 with an uncoordinated BF₄ ⁻ ion crystallizes as yellow orthorhombic crystals, Pbca, a = 18.8247(12) ?, b = 18.5518(12) ?, c = 21.0976(14) ?, while crystals of 9 are trigonal, , a = b = 13.1545(12) ?, c = 68.461(9) ?. Graphical Abstract  The syntheses and X-ray analyses of triphenylmethyl (trityl=Tr) phosphorus compounds are reported and the structural similarities, differences and ³¹P chemical shifts compared.      

Synthesis, Structure and Characterization of Two 1D Chain-like Cadmium Terephthalate Complexes: [Cd(tp)(H2O)3]?·?4H2O and [Ph4P][Cd(tp)0.5Cl2]?·?H2O

Abstract  Two new compounds, [Cd(tp)(H₂O)₃] · 4H₂O (1) and [Ph₄P][Cd (tp)_0.5Cl₂] · H₂O (2) (tp = terephthalate, [Ph₄P] = tetraphenylphosphonium), are metal-polycarboxylate coordination polymers prepared by similar hydrothermal synthesis techniques. Both compounds crystallize in the 1D chain-like architectures. 1 (C₈H₁₈CdO₁₁) is orthorhombic Pcca, Z = 4 (a = 7.3018(1) ?, b = 9.9975(3) ?, c = 19.9695(5) ?, V = 1457.77(6) ?³). 2 (C₂₈H₂₄CdCl₂O₃P) is triclinic P−1, Z = 2 (a = 9.5028(4) ?, b = 12.3130(5) ?, c = 12.7343(6) ?, α = 68.380(1)°, β = 73.723(1)°, γ = 89.624(1)°, V = 1321.8(1) ?³). Transition metal cadmium centers bridged by rigid linear tp ligands give rise to a 1D infinite zigzag chain polymer for 1 and a simple 1D infinite stepped chain polymer for 2. 1 presents an interesting plywood-like packing network while 2 shows a simple parallel rod-like stacking network. An intense fluorescent emission at 412 nm (λ_exc = 338 nm) for 1 in the solid state at room temperature is observed. Index Abstract  Polymeric compounds [Cd(tp)(H₂O)₃] · 4H₂O (1) and [Ph₄P][Cd (tp)_0.5Cl₂] · H₂O (2) crystallize in two remarkable 1D chain-like architectures prepared by similar hydrothermal synthesis techniques, showing an interesting plywood-like packing network in 1 and a simple parallel rod-like stacking network in 2, respectively. An intense fluorescent emission at 412 nm (λ_exc = 338 nm) for 1 in the solid state at room temperature is observed.      

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.     

Absence of Platinophilic Interactions in a Series of Tetracyanoplatinates Incorporating Cyclic Amines

Abstract  

Three novel compounds have been synthesized and structurally characterized: [1,10-Hphen]₂Pt(CN)₄·2H₂O (1a) space group P2₁/n, a = 8.73070(17) ?, b = 15.4609(2) ?, c = 9.82661(19) ?, β = 103.252(2)°; [2,2′-Hbipy]₂Pt(CN)₄·2H₂O (1b) space group P2₁/n, a = 7.0859(14) ?, b = 12.940(2) ?, c = 13.7486(19) ?, β = 100.708(16)°; K₂[Pt(CN)₄]·2phen (phen = 1,10-phenanthroline) (2) space group P2₁/c, a = 8.1393(4) ?, b = 20.4050(9) ?, c = 8.4085(4) ?, β = 105.284°. All three structures contain isolated [Pt(CN)₄]²⁻ ions and they all illustrate the absence of Pt⋯Pt interactions due to the presence of bulky cyclic amines or ammoniums. The structures of 1a and 1b contain large organic cations, 2,2′-bipyridinium and 1,10-phenanthrolinium, respectively while compound 2 contains neutral 1,10-phenanthroline molecules co-crystallized between the potassium tetracyanoplatinate framework.     

Crystallographic and Conformational Analysis of [(<Emphasis Type="Italic">E</Emphasis>)-2-[(3-Chlorophenylimino)methy])-4-methoxyphenol]

Abstract  The crystal structure of C₁₄H₁₂ClNO₂ was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) ?, b = 4.5101(3) ?, c = 12.0534(11) ?, α = 90.00o, β = 113.669(6)o, γ = 90.00o, Z = 2, Dx = 1.393 mg/m³, μ (MoK_α) = 0.298 mm⁻¹. The title compound is photochromic and molecule is non-planar. It adopts a phenol–imine tautomeric form with a strong intramolecular O–H···N hydrogen bond and a strong intermolecular C–H···O hydrogen bond. Minimum energy conformations AM1 were calculated as a function of the three torsion angles θ1(C10–C9–N1–C8), θ2(C9–N1–C8–C1) and θ3(N1–C8–C1–C6), varied every 10°. As in the X-ray experiment results, molecule has an angle that makes it non-planar between two aromatic rings in AM1 optimized geometry. Graphical Abstract  Molecular and crystal structure of [(E)-2-[(3-chlorophenylimino)methy])-4-methoxyphenol], C₁₄H₁₂ClNO₂, have been determined by single crystal X-ray diffraction study, and conformational analysis of the title molecule with respect to the selected torsion angle has been achieved by AM1 semi-empirical calculations.      

Interesting Reactivity in the Thermolysis and Photolysis of 2,3-Diphenyl-1-naphthol

Abstract  2,3-Diphenyl-1-naphthol (1) undergoes two unexpected reactions under different conditions. Compound (1) was heated in DMSO-d₆ and underwent a Pummerer type thermal reaction to give two isomeric products, 1-(methylthio)methoxy-2,3-diphenyl naphthol-d₅ which crystallized in the space group with a = 7.1610(9) ?, b = 11.2795(15) ?, c = 12.8905(17) ?, α = 114.049(2)°, β = 96.589(2)°, and γ = 102.945(2)°, and 2-(methylthio)methyl-2,3-diphenyl 1(2H)-naphthalenone-d₅ which crystallized in the space group with a = 8.5981(5) ?, b = 10.4374(6) ?, c = 11.1078(6) ?, α = 78.748(2)°, β = 67.709(2)°, and γ = 83.184(2)°. Photolysis (254 nm) of (1) resulted in 2,2′,3,3′-tetraphenyl-1,1′-bi-2-naphthol which crystallized in the space group P2₁/c with a = 26.3616(11) ?, b = 10.1707(4) ?, c = 23.3376(9) ?, and β = 99.034(2)°. Graphical Abstract  When 2,3-diphenyl-1-naphthol was heated in DMSO-d₆ two unexpected isomers, 1-(methylthio)methoxy-2,3-diphenyl naphthol-d₅ and the racemate 2-(methylthio)methyl-2,3-diphenyl 1(2H)-naphthalenone-d₅ were produced. Photolysis in THF at 254 nm led to the unexpected product 2,2′,3,3′-tetraphenyl-1,1′-bi-2-naphthol. All structures were elucidated by X-ray crystallography.      

Synthesis and Structure of a CdI<Subscript>2</Subscript> Coordination Polymer with 1,4-Bis(benzimidazole-1-yl-methylene)benzene (bbmb)

Abstract  In this paper, solution reaction of cadmium iodide with organic multifunctional ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene generated a 1D polymer [CdI₂ (bbmb). (DMF) (CH₃CN)]_n 1, and the crystal structure has been determined (C₂₇H₂₈CdI₂N₆O), Mr = 818.75, a  = 14.929(1) ?, b = 17.381(2) ?, c = 15.850(1) ?, β = 114.8190(10)°, space group C2/c, Z = 4, and V = 3733.3(6) ?³. In 1 the tetrahedral coordination of Cd(II) and the conformation of the bbmb ligand make it a wave-shaped structure.

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Graphical Abstract  Synthesis and structure of a CdI2 coordination polymer with 1,4-bis(benzimidazole-1-yl-methylene)benzene(bbmb) Xiucun Liu, Xiaoling Guo, Yunyin Niu, Qingli Wang, Qian Cui, Hongwei Hou, Xiaorui Lv, SeikWeng Ng Solution reaction of cadmium iodide with organic multifunctional ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene (bbmb) generated a 1D polymer [CdI₂ (bbmb) (DMF)(CH₃CN)]_n, in which the tetrahedral coordination of Cd(II) and the conformation of bbmb ligand make it a wave-shaped structure.

     

Novel Complexes of Zinc(II) with Different Proton Transfer Ion Pairs Obtained from Dipicolinic Acid: Synthesis, Characterization and X-ray Crystal Structure

Abstract  Three new complexes of zinc(II) with three different proton transfer compounds, obtained from pyridine-2,6-dicarboxylic acid (dipicolinic acid) and different Lewis bases, were synthesized and characterized using IR, ¹H NMR and ¹³C NMR spectroscopy and single crystal X-ray diffraction. The chemical formulae and space groups of the complexes are (pipzH₂)[Zn(pydc)₂] · 4H₂O, P2₁/n (1), (EDGnH₂)[Zn(pydc)₂] · 3H₂O, P2₁/c (2) and (pdaH₂)[Zn(pydc)₂] · 4H₂O, (3) where pydc, pipz, EDGn and pda are standing for dipicolinic acid, piperazine, ethylenediguanidine and 1,3-propanediamine respectively. Cell parameters of the complexes are a = 7.9493(4) ?, b = 13.4386(7) ?, c = 21.0557(11) ?, β = 90.415(5)° for 1; a = 9.785(3) ?, b = 25.671(4) ?, c = 9.3402(16) ?, β = 90.790(17)° for 2 and a = 8.411(5) ?, b = 11.650(7) ?, c = 12.793(8) ?, α = 115.534(9)°, β = 92.791(10)°, γ = 97.778(10)° for 3. The three crystal structures illustrate that the metal ion is six-coordinated by two pydc’s. In all three compounds a large number of O–H⋯O, N–H⋯O and C–H⋯O hydrogen bonds are observed. These interactions as well as other noncovalent interactions such as ion–pairing and π–π stacking play an important role in the formation and stabilization of supramolecular systems in the crystal lattices. Index Abstract  The main purpose of this paper is to report and discuss about the synthesis, characterization, crystal structure and non-covalent interactions of three supramolecular frameworks of six-coordinated Zn(II) complexes, obtained by the reaction of different proton transfer compounds, i.e. (pipzH₂)(pydc), (EDGnH₂) (pydc) · 3H₂O and (pdaH₂)(pydc) · (pydcH₂) · 2.5H₂O with corresponding metallic salts.      

Crystal Structures of the Solvates of Di-ethylaminogossypol with Ethyl Acetate and Pyridine

Abstract  The crystal structures of di-ethylaminogossypol with ethyl acetate (DEAG-EA) and pyridine (DEAG-P) were studied by room-temperature X-ray diffraction. The host-to-guest molecule ratio in these complexes is 2:1 for DEAG-EA and 2:5 for DEAG-P. The crystal and cell parameters for DEAG-EA are C₃₄H₄₀N₂O₆·0.5(C₄H₈O₂), M = 660.78, triclinic, space group P-1, a = 11.316(2) ?, b = 12.082(2) ?, c = 15.085(3) ?, α = 73.34(3)°, β = 73.32(3)°, γ = 73.61(3)°, V = 1,847.3(7) ?³, Z = 2, and d _calc. = 1.188 g/cm³ and for DEAG-P are C₃₄H₄₀N₂O₆·2.5(C₅H₅ N), M = 769.91, triclinic, space group P-1, a = 9.6090(19) ?, b = 14.894(3) ?, c = 16.038(3) ?, α = 90.66(3)°, β = 106.25(3)°, γ = 103.17(3)°, V = 2138.7(9) ?³, Z = 2, and d _calc. = 1.195 g/cm³. In both structures, the di-ethylaminogossypol molecules are in the enamine form, which is the same tautomer found for other reported Schiff base gossypol derivatives. The enantiomeric gossypol molecules of each structure form different centrosymmetric dimer assemblies. These assemblies pack differently in each solvate. Index Abstract  Crystal structures of the solvates of di-ethylaminogossypol with ethyl acetate and pyridine were determined by X-ray diffraction.      

Synthesis and Structural Characterization of (2,4-Diamino-5-(3′,4′,5′-Trimethoxybenzyl)Pyrimidine Copper (II)) Complex

Abstract  The reaction of Cu(OOCCH₃)₂·H₂O with (2,4-diamino-5-(3′,4′,5′-trimethoxybenzyl) pyrimidine (trimethoprim) in ethanolic solution at 80 °C affords the title complex which has been characterized by elemental, IR, and NMR (¹H and ¹³C).The crystal structure has been determined by single crystal X-ray diffraction. Compound 1 (C₃₆H₄₈Cu₂N₈O₁₄) is triclinic, space group P-1 with a = 7.2676(4) ?, b = 11.6721(7) ?, c = 12.8279(8) ?, α = 95.839(1)°, β = 93.456(1)°, γ = 105.541(1)°, Z = 1. Two copper atoms are coordinated directly to each other as well as are held together by four bridging aceto groups. Each copper atom is also bonded opposite the Cu–Cu vector to a trimethoprim molecule through the N(1) atom of the pyrimidine ring. Trimethoprim acts as a monodentate ligand through the pyrimidine nitrogen N(1) atom. The complex was screened for the activity against several bacteria, showing more activity against bacteria as compared to trimethoprim. Graphical Abstract  To enhance the activity of trimethoprim, its derivative was prepared and there bacterial activity against several bacteria was analyzed.      

Supramolecular Interactions in the Adduct of Di-triethylammonium,tetrachlorobenzene-1,4-dicarboxylate and tetrachlorobenzene-1,4-dicarboxylic acid

Abstract  The adduct of di-triethylammonium, tetrachlorobenzene-1,4-dicarboxylate and tetrachlorobenzene-1,4-dicarboxylic acid, i.e. {2(C₂H₅)₃NH⁺ C₈Cl₄O₄²⁻ H₂C₈Cl₄O₄}, crystallizes in triclinic, P-1 with cell dimensions of a = 8.5080(5) ?, b = 8.9789(6) ?, c = 12.5212(8) ?, α = 93.301(1)°, β = 109.107(1)°, γ = 103.565(1)°, V = 869.2(1) ?³ and Z = 2. The C₈Cl₄O₄²⁻ and H₂C₈Cl₄O₄ moieties link with each other by O–H···O along c axis, C–Cl···O=C along b axis and C–Cl···Cl–C along a axis to form the 3D framework of the crystal structure. The (C₂H₅)₃NH⁺ cations reside in the cavities of the 3D framework via various intermolecular interactions such as N–H···O, C–H···O and C–H···π. Index Abstract  In the title compound, tetrachlorobenzene-1,4-dicarboxylates and tetrachlorobenzene-1,4-dicarboxylic acids form 3D framework by hydrogen bonds and halogen bonds, and triethylammoniums reside in the voids of the framework via supramolecular interactions .     

Crystallographic and Conformational Analysis of [(Z)-2-ethoxy-6-[(2-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone]

Abstract  The single crystal X-ray diffraction analysis of the title compound, C₁₅H₁₅NO₃, shows that the structure is adopted to its NH tautomeric form and crystallizes in the orthorhombic space group P bcn with a = 21.2424(15) ?, b = 12.7696(9) ?, c = 9.3605(10) ?, Z = 8, V = 2539.1(4) ?³, D _c  = 1.346 g/cm³. The molecular conformation in the crystal is stabilized by an intramolecular H-bond and the crystal structure is stabilized by the bifurcated O–H···O type intermolecular H-bonds. In order to understand the effects on conformational flexibility of the title molecule, molecular energy profile was calculated as a function of the selected torsion angle by means of AM1 semi-empirical method. Index Abstract  Molecular and crystal structure of [(Z)-2-ethoxy-6-[(2-hydroxyphenylamino)methylene]cyclohexa-2,4-dienone], C₁₅H₁₅NO₃, have been determined by single crystal X-ray diffraction study, and conformational analysis of the title molecule with respect to the selected torsion angle has been achieved by AM1 semi-empirical calculations.      

Structural, Spectroscopic and Thermal Characterisation of bis (dibenzoylmethanato)Cd(II) Adducts with Dimethylsulfoxide and Water

Abstract  Adducts of cadmium(II) dibenzoylmethate, Cd(dbm)₂X₂ (X = DMSO, H₂O) were synthesized and analyzed by thermogravimetric analysis (TGA), differential-scanning calorimetry (DSC), hot-stage microscopy (HSM), single crystal X-ray diffraction, FTIR and Raman spectroscopy, and elemental analysis. Products obtained by thermal decomposition of the two Cd(II) complexes in oxygen, were used for quantitative analysis of cadmium in the adduct molecules. Single-crystal X-ray diffraction analysis of the DMSO adduct revealed that it has cis configuration. The DMSO adduct crystallizes in P2₁/a space group, a = 17.2494(6) ?, b = 8.3251(4) ?, c = 22.2746(9) ?, β = 93.836(3)°, V = 3191.53(7) ?³, Z = 4. Graphical abstract   Structural, Spectroscopic and Thermal Characterisation of bis (dibenzoylmethanato)Cd(II) Adducts With Dimethylsulfoxide and Water Ivan Halasz, Michaela Horvat, Tomislav Biljan, Ernest Meštrović Two adducts of bis(dibenzoylmethanato)Cd(II), Cd(dbm)₂X₂ (X = DMSO, H2O) have been synthesized and characterized.      

Synthesis and Structural Characterization of Substituted Salicylate Titanocene Complexes: Three Supramolecular Frameworks Determined by Weak Interactions

Abstract  Based on the reaction between Cp₂TiCl₂ and substituted salicylic acids in the presence of β-cyclodextrin polymer (β-CDP), three four-coordinated titanocene complexes [(η⁵-C₅H₅)₂Ti(S,O′)(OCC₆H₄)·(C₆H₆)_0.5] (1), [(η⁵-C₅H₅)₂Ti{(O,O′)(3,5-Cl₂-OCC₆H₂)}] (2) and [(η⁵-C₅H₅)₂Ti{(O,O′)(3,5-(NO₂)₂-OCC₆H₂)}] (3) were synthesized in high yields and their crystal structures have been determined by single-crystal X-ray diffraction. The structure of 1 has a Monoclinic space group P2₁/c with a = 8.313(3) ?, b = 9.960(4) ?, c = 22.330(8) ?, β = 111.856(11)° and Z = 4. The structure of 2 has a Monoclinic space group P2₁/c with a = 8.0577(13) ?, b = 8.9022(14) ?, c = 21.977(4) ?, β = 96.298(3)° and Z = 4. The structure of 3 has a Triclinic space group P-1 with a = 8.1687(11) ?, b = 8.3027(11) ?, c = 12.7164(17) ?, α = 102.930(2)°, β = 100.479(2)°, γ = 95.458(2)° and Z = 2. Each of the complexes exhibits a three-dimensional framework constructed through weak interactions, which are hydrogen bonding, π–π stacking and C–H···π interactions. It was found that the variation of the substituted salicylate ligands affect the weak interactions as well as the specific framework structure that forms. Graphical Abstract  Three four-coordinated titanocene complexes [(η⁵-C₅H₅)₂Ti(S,O′)(OCC₆H₄)·(C₆H₆)_0.5] (1), [(η⁵-C₅H₅)₂Ti{(O,O′)(3,5-Cl₂-OCC₆H₂)}] (2) and [(η⁵-C₅H₅)₂Ti{(O,O′)(3,5-(NO₂)₂-OCC₆H₂)}] (3) were synthesized in high yields, each of the complexes exhibits a three-dimensional framework constructed through weak interactions. It was found that simple variation of the substituted salicylate ligands affect the weak interactions as well as the specific framework structure that forms. .