Syntheses,Structural Characterization of Nickel and Zinc Coordination Polymers Composed of Dicarboxylate and Bis(4-(1H-benzo[d]imidazol-1-yl)phenyl)methanone Ligands

Crystallography Reports - Two novel complexes, {[L1Ni(ipa)(H2O)]2(DMF)}n (1) and {[L1Zn(pa)]4(H2O)}n (2), (L1 = bis(4-(1H-benzo[d]imidazol-1-yl)phenyl)methanone, H2ipa = isophthalic acid, H2pa =...     

Mn(II) and Zn(II) Complexes Constructed by Bis(4-(1H-Imidazol-1-yl)phenyl)methanone and Salicylate: Syntheses and Crystal Structures

Crystallography Reports - Two complexes with V-shaped ligands, [(L1)2Mn(H2O)4](HSA)2] (1), {[(L1)2Zn(H2O)2](HSA)2}n (2) (L1 = bis(4-(1H-imidazol-1-yl)phenyl)methanone, H2SA = salicylic acid), have...     

Structural Characterization of Zinc(II) and Cadmium(II) Coordination Polymers Composed of Bis(4-(1H-imidazol-1-yl)phenyl)methanone and 1,3-Adamantanedicarboxylate Ligands

Crystallography Reports - Two coordination polymers, {[L1Zn(adc)]2⋅5H2O}n (1), {[L1Cd(adc)]2⋅2.75H2O}n (2) (L1 = bis(4-(1H-imidazol-1-yl)phenyl)methanone, H2adc =...     

Synthesis and Crystal Structure of a Cobalt Coordination Polymer Based on Bis(4-(1H-imidazol-1-YL)phenyl)methanone and trans-1,2-Cyclohexanedicarboxylate

Crystallography Reports - A cobalt coordination polymer with V-shaped ligands, {[L1Co(trans-CHDCA)] · 2H2O}n (L1 = bis(4-(1H-imidazol-1-yl)phenyl)methanone, trans-H2CHDCA =...     

Synthesis of a Cobalt Coordination Polymer Based on 4-(1H-Imidazol-1-yl)phenyl)methanone and Fumaric Acid

Crystallography Reports - A cobalt coordination polymer with V-shaped ligands, {[Co0.5(L1) ⋅ (C4H2O4)0.5] ⋅ 0.25H2O}n, (L1 = 4-(1H-imidazol-1-yl)phenyl)methanone, C4H2O4 =...     

Synthesis and Crystal Structure of a Zinc Coordination Polymer Based on Bis(4-(2'-methylimidazol)phenyl)sulfone and (1,1'-Biphenyl)-2,2'-dicarboxylate Ligands

Crystallography Reports - Zinc coordination polymer with V-shaped ligands, {[Zn(L1) ? (bpda)] ? H2O}n, (1) (L1 = bis(4-(2'-methylimidazol)phenyl)sulfone, H2bpda =...     

Synthesis,Structure, and Luminescence of a Zinc Coordination Polymer Based on Bis(4-(2'-methylimidazol)phenyl)sulfone and 4-Nitrophthalate Ligands

Crystallography Reports - A zinc coordination polymer with V-shaped ligands, [L1Zn(npa)]n (L1 = bis(4-(2'-methylimidazol)phenyl)sulfone, H2npa = 4-nitrophthalic acid) has been synthesized under...     

Synthesis and Structural Characterization of a Cobalt Coordination Polymer with Formate and Bis(4-(1H-imidazol-1-yl)phenyl)methanone Ligands

Crystallography Reports - A cobalt coordination polymer, {[Co(L1)2(H2O)2] · (HCOO)2 · H2O}n, where L1 is a bis(4-(1H-imidazol-1-yl)phenyl)methanone, has been synthesized and characterized...     

Synthesis and Structural Characterization of Two Tetra-Coordinated Co(II) Complexes with Benzimidazole Derivatives

Crystallography Reports - Two mononuclear tetra-coordinated cobalt(II) complexes with molecular formula [Co(L)2(SCN)2] (L = 1-methylbenzimidazole (mbim), 1; L = 1-methyl-2-aminobenzimidazole...     

Solvent-controlled structures. Synthesis and characterization of complexes Cu(L)2(CH3COO)2 and [Cu2(μ-CH3COO)4(L)2](L)2 [L = N-(4′-methylaniline)-4-pyridinecarboxamide]

Two complexes Cu(L)₂(CH₃COO)₂ (1) and [Cu₂(μ-CH₃COO)₄(L)₂](L)₂ (2) (L = N-(4′-methylaniline)-4-pyridinecarboxamide) have been prepared and their crystal structures have been determined by single-crystal X-ray diffraction. The complexes are obtained by using the same raw materials and reaction conditions except solvents. The presence or absence of water controls the coordination mode to give rise to different structures. The structure of 1 has a triclinic space group P-1 with a = 8.381(3) ?, b = 8.545(4) ?, c = 11.357(5) ?, α = 110.654(6)°, β = 102.388(7)°, γ = 97.889(7)°, V = 722.9(5) ?³, and Z = 1. The structure of 2 has a triclinic space group P-1 with a = 9.121(3) ?, b = 9.454(3) ?, c = 17.233(5) ?, α = 77.374(5)°, β = 89.827(6)°, γ = 74.342(6)°, V = 1393.8(7) ?³, and Z = 1. Supramolecular assemblies have also been found via noncovalent bonds such as hydrogen bonds, π–π stacking interactions.     

Synthesis, crystal structure, and thermal properties of {[Cd2(L1)3(sac)4]⋅2CH2Cl2}∞: A coordination polymer with non-interpenetrating ladders containing cadmium in a rare, trigonal bipyramidal coordination environment (L1 = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene, sac = saccharinate)

The new coordination polymer, {[Cd₂(L1)₃(sac)₄]?2CH₂Cl₂}_∞:, has been prepared from the reaction of 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene (L1) with [Cd(sac)₂(H₂O)₄].2H₂O(sac = saccharinate) in a methylene chloride/ethanol solvent mixture. The compound features a non-interpenetrating ladder motif constructed from Cd(L1)3 T-shaped units. The Cd atoms are coordinated to three nitrogen donor atoms from three L1 ligands and two nitrogen donor atoms from two saccharinate ligands in a rare, trigonal bipyramidal coordination environment. The compoundwas further characterized by IR spectroscopy and DTA/TGA. {[Cd₂(L1)₃(sac)₄]?2CH₂Cl₂}_∞: crystallizes in the triclinic space group P-1 with a = 10.8747(19)Å, b = 12.626(2)Å, c = 15.749(3)Å, α = 111.839(3)^°, β = 97.442(3)., and γ = 106.239(3)^°     

铜(Ⅱ)配合物{[Cu(OMBA)2]2·(DMF)2}的合成、CT-DNA结合及细胞毒性

合成了配合物{[Cu(OMBA)₂]₂·(DMF)₂}(OMBA =邻甲基苯甲酸,DMF = N,N-二甲基甲酰胺),配合物结构经元素分析、IR和X射线单晶衍射表征,该配合物属于三斜晶系,P1空间群,晶胞参数为a=1.037 0(5) nm, b=1.053 6(4) nm, c=1.105 9(5) nm, α=62.737(6)°, β=73.355(7)°, γ=63.231(7)°, Z=1, D_c=1.416 g·cm^-3, F(000)=422,最终结构残差因子R₁=0.051 5, wR₂=0.140 4。采用紫外、荧光和黏度法研究了配合物和小牛胸腺DNA (CT-DNA)的相互作用方式。结果表明,配合物与DNA的结合常数K_b=939.61 L·mol^-1,K_sv=3.00×10³ L·mol^-1,猝灭速率常数K_q=3.00×10¹¹ L·mol^-1·s^-1。配合物静态猝灭CT-DNA的荧光,结合常数K_a=5.38×10³ L·mol^-1,结合位点n=1,配合物对胃癌细胞A549、宫颈癌细胞Hela和肝癌细胞HepG2有抗增殖作用。     

Whiskers of Iron(II) (1-Hydroxyethylidene)diphosphonate and Its Complex with Morpholine

Crystallography Reports - The interaction of an aqueous suspension of fine-grained iron with one equivalent of (1-hydroxy-ethylidene)diphosphonic acid (H4L) leads to the formation of poorly soluble...     

Synthesis,Crystal Structure and DNA-Binding Study of a New Zinc(II) Complex Based on 2,6-Bis(imino)pyridyl Ligand

A new zinc complex [Zn(L1)Cl₂]₂?CH₃OH?2H₂O (complex 1), where L1 stands for 2,6-Bis{[(4-ethylphenyl)imino]ethyl}pyridine (L1) has been synthesized and characterized. The crystal structure of L1 and complex 1 have been determined by single-crystal X-ray diffraction. Both compounds crystallize in the monoclinic P2₁/c space group. For the ligand L1, the crystal parameters are a?=?16.7487(7) Å, b?=?5.8177(3) Å, c?=?21.8427(10) Å, β?=?104.1350(10)° and Z?=?4. For complex 1, the crystal parameters are a?=?8.0216(14) Å, b?=?13.433(2) Å, c?=?24.640(4) Å, β?=?90.223(3)° and Z?=?2. In the crystal structure of complex 1, L1 acts as a tridentate ligand and coordinated with Zn1 with three nitrogen atoms. Together with two chlorine atoms, Zn1 atom is five-coordinated in a trigonal bipyramidal geometry. Hydrogen bonds play great role in the crystal structure of complex 1 and form a two-dimensional network. Furthermore, the DNA-binding property of complex 1 with fish sperm DNA (FS-DNA) has been investigated by electronic absorption titration. The result suggests that complex 1 might interact with FS-DNA via groove binding mode.

Graphical abstract

The single crystals of 2,6-Bis{[(4-ethylphenyl)imino]ethyl}pyridine (L1) and it’s Zinc(II) complex [Zn(L1)Cl₂]?CH₃OH?H₂O (1) were determined. In the crystal structure of complex 1, Zn1 atom is five-coordinated in a trigonal bipyramidal geometry. A two-dimensional network is formed by hydrogen bonds. DNA-binding study indicated that complex 1 interact with FS-DNA via groove binding mode.

     

二维异核铜-钠配位聚合物的合成和晶体结构

合成了铜-钠混合金属配位聚合物 [(CuL)2(CH3OO)Na(H2O)4]2 (简写为1)并进行了元素分析和单晶X射线衍射分析,L为{2-(2′-酚基)- Δ 2-噻唑-4-羧酸}.晶体结构分析表明配合物形成Cu4Na2的六核混合金属大环.相邻的Cu4Na2环之间通过进一步的配位作用连结成包含更大的Cu8Na4大环的二维网状结构.该晶体属于三斜晶系Pī空间群,晶胞参数分别为:a = 1.0777(4) nm, b = 1.5221(6) nm, c = 1.6994(6) nm, α = 84.58(1)°, β = 76.31(1)°, γ = 89.97(1) °, V = 2.696 (2) nm3, Z = 2, Mr= 1447.26, dc = 1.783 g·cm-3, T = 293(2) K, μ = 1.816 mm-1, F(000) = 1472, R1 = 0.0794, wR2 = 0.1819 [I>2σ(I)].     

The structure of 1-(p-fluorophenylmethyl)-2-(4-methyl-1-piperazinyl)-1H-benzimidazole hydrogen fumarate

The crystal and molecular structure of the title compound has been determined by X-ray analysis. The 1-(p-fluorophenylmethyl)-2-(4-methyl-1-piperazinyl)-1H-benzimidazole ion cocrystallizes with fumaric acid, (C₁₉H₂₂N₄F⁺·C₄H₃O ₄ ^– ), in space group P-1 with cell dimensions a = 9.938(1), b = 10.131(1), c = 12.712(1) Å, = 86.57(1), = 69.41(2), and = 67.22(2)°. The piperazine N4 atom is protonated and contacts the deprotonated O atom of the fumarate anion through a hydrogen bond. The benzimidazole ring is nearly planar and makes a dihedral angle of 111.25(12)° with the fluorophenyl ring. The piperazine ring adopts a chair conformation.     

Synthesis and Crystal Structure of 1-(3-Amino-4-Morpholino-1H-Indazole-1-Carbonyl)-N-(4-Methoxyphenyl)Cyclopropane-1-Carboxamide,a Molecule with Antiproliferative Activity

Crystallography Reports - Compound 1-(3-amino-4-morpholino-1H-indazole-1-carbonyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide (C22H23N5O3, Mr = 870.96) was synthesized by condensation of...     

Silver (I) coordination by 1-(t-butyl)-2-benzoylaziridine

The reaction between AgNO₃ and 1-(t-butyl)-2-benzoylaziridine (tBBA) leads to the formation of bis-(1-(t-butyl)-2-benzoylaziridine) nitrato silver (I) which is a new metal aziridine derivative. The crystal structure was established by X-ray diffraction. [Ag(tBBA)₂(NO₃)] crystallizes in space groupC222₁ witha=11.877(6),b=13.560(4),c=16.923(4)Å andZ=4. The silver atom is six-coordinated by two N atoms of two aziridine rings (Ag-N=2.39(1)Å), two O atoms of two benzoyl groups (Ag-O=2.60(1)Å) and two O atoms of the nitrato group (Ag-O=2,60(1) Å). The coordination around the silver atom defines a very distorted octahedron with the C2 symmetry. The twofold axis passes through one O and the N nitrato atoms, and the silver atom. The nitrato group and tBBA act as bidentate ligands. These results are in contrast with our previous studies on aziridine zinc (II) complexation where the zinc atom is not coordinated by the benzoyl group.     

Synthesis and crystal structure of (Z)-1-(phenylsulphenyl)-2-phenylethenyl p-toluenesulfonate

The reaction between 1-phenylsulphenyl-2-phenylethyne and p-toluenesulfonic acid in methylene chloride gives (Z)-1-(phenylsulphenyl)-2-phenylethenyl p-toluenesulfonate (1) in good yields. This reaction is both a regio- and a stereospecific cis addition, confirmed by X-ray crystal structure analysis of the title compound. 1 crystallizes in the monoclinic space group P2₁/n with the lattice parameters a = 10.556(3), b = 9.730(3), c = 19.687(3) Å, = 105.05(2)°, V = 1952.7(8) ų, and Z = 4. The results of elemental analysis, IR and NMR spectroscopy are included.     

The preparation, characterization and X-ray structural analysis of tetrakis[1-methyl-3-(2-propyl)-2(3H)-imidazolethione]zinc(II) tetrafluoroborate and tetrakis[1-methyl-3-(1-butyl)-2(3H)- imidazolethione]zinc(II) tetrafluoroborate

Two compounds, [Zn(mipit)₄][BF₄]₂ (1) and [Zn(mnbit)₄][BF₄]₂ (2) have 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 and mnbit: 1-methyl-3-(1-butyl)-2(3H)-imidazolethione). Compound 1 crystallizes in monoclinic space group P2₁/n with a = 11.804(2) ?, b = 16.710(3) ?, c = 25.763(5) ?, γ = 90.14(3)° and Z = 4, whereas compound 2 crystallizes in tetragonal space group $${\rm I}\bar{4}$$ with a = b = 11.6517(16) ?, c= 16.820(3) ?, and Z = 2. Both complexes are high melting, colorless water soluble 2:1 electrolyte solids that state have flattened tetrahedral ZnS₄ coordination geometry. The isopropyl analog is slightly more distorted than the n-butyl analog, and the degree of distortion is not directly related to the steric bulk of the ligand.