Synthesis and Crystal Structure of [Ni(Ⅱ)(L)(py)3]·(py)

The title complex, C37H34N6NiO5, has been prepared and characterized by X-ray diffraction analysis. It crystallizes in the monoclinic system, space group P21/c with a = 1.15244(8), b = 1.69679(12), c = 1.78341(13) nm, β = 102.2320(10)°, V = 3.4082(4) nm3, Z = 4, Mr = 701.41, F(000) = 1464, Dc = 1.367 g/cm3 and μ(MoKα) = 0.622 mm-1. The structure was refined to R = 0.0459 and wR = 0.1199 for 5718 observed reflections. The intramolecular hydrogen bonds in the crystal structure play important roles in the title complex's thermostability.     

Crystal Structure of 〔Aqua(oxalato)(1,10-phenanthroline)(H_2O)〕copper(Ⅱ) Monohydrate

1INTRODUCTIONThemixeda,a'-diimineandoxygendonorligandsofcopper(n)complexesareknowntobepossiblemodelsforenzyme~metalion-substrateandundernumerousin-vestigationst".Themixedoxalato2,2'-bipyridylcomplexesofcopper(I)havebeenwellcharacterizedL2j.Herebywereportthecrystalstructureofits1,lO-phenanthro-lineanalogue.2EXPERIMENTALThetitlecomplexwaspreparedbymixingCuCl,.2H,O,1,lO-phenanthrolineandH,C,o'inmethanol-water(1:lv/v)intheratio1:1:l.Afewdropsoftri-ethylaminewereaddedandtheresultingmi…     

Synthesis and Crystal Structure of [Ni(II)(L)(py)_3]·(py)

1 INTRODUCTION Schiff bases and their metal complexes are useful reagents in organic synthesis[1], and they have exhi- bited some biological activities as anticancer and antitumor drugs[2]. The crystal structures and physi- cal and chemical properties of many Schiff bases and their transition metals complexes have been re- ported[3~5]. Further interest in the coordination che- mistry of nickel(II) arises from the role of these complexes in several catalytic reactions, such as electrocat…     

Crystal Structure of Dimer Complex of 〔K (dndb)(H_2O)(NCS)〕_2

1INtrODUCTIONThecrownethercomPOundsandtheirderivativeshavecontinuouslyattractedconsiderableattentioneversincetheywerefirstreportedin1967illbecauseoftheirexcellentcapacitytoattachmetalatomstoformcomplexes.Nowadaystheyareappliedextensivelyinchemistry,biology,medicine,agriculture,metallurgyandmanyotherfields.Manypapersonsynthesesofnewcrownethers,theirstructuredeterminationandcharactersareoftenpublished.Inthestudiesthenitrifiedreactionofcrownetherisknownasasignificantwaybywhichfunctionalgroup…     

Crystal Structure of [La(NCS)_3(18-crown-6)(DMF)]

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ[Ｌａ（ＮＣＳ）_３（１８－ｃｒｏｗｎ－６）（ＤＭＦ）]ＭａｏＪｉａｎｇ－Ｇａｏ（ＦｕｊｉａｎＩｎｓｔｉｔｕｔｅｏｆＲｅｓｅａｒｃｈｏｎｔｈｅＳｔｒｕｃｔｕｒｅｏｆＭａｔｔｅｒ，ＡｃａｄｅｍｉａＳｉｎｉｃａ，Ｆｕｚｈ?..     

Synthesis and Crystal Structure of Bis(μ-bis(diphenyl-phosphino)methane)(μ-benzenethiolate)(acetonitrile)Dicopper(I) Perchlorate Diethylether Solvate

The reaction between [Cu2(μ-dppm)2(MeCN)4](ClO4)2(dppm=bis(diphenylphos-phino)methane) and [Zn(PhS)2(bpy)] (bpy=2,2'-bipyridine,PhS=benzenethiolate) gave the complex [Cu2(μ-dppm)2(μ-PhS)(MeCN)]ClO4·0.5(Et2O)(C58H52ClNO4P4SCu2·0.5Et2O) which was determined by X-ray single-crystal diffraction.The crystal is of orthorhombic,space group P212121 with a=13.6157(3),b=20.8022(6),c=21.3299(6)A,V=6041.4(3) A3,Mr=1182.54,Dc=1.300 g/cm3,F(000)=2444,μ=0.934 mm-1 and Z=4.The final R=0.0773 and wR=0.1843 for 7744 observed reflections (I>2σ(I)).The dicopper atoms are doubly bridged by dppm as well as one S donor from benzenethiolate.One copper atom is in a distorted trigonal bipyramidal environ- ment,whereas the other adopts a distorted tetrahedral geometry.     

Synthesis and Crystal Structure of Mn(phen)(CF3COO)(H2O)3·NO3

The mononuclear manganese complex Mn(phen)(CF3COO)(H2O)3(NO3 (C14H14O8N3F3Mn) has been synthesized, where phen = 1,10-phenanthroline. The molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 8.8550(3), b = 10.6529(3), c = 19.8763(2) A, β = 97.762(2)o, V = 1857.78(8) A3, Z = 4, Mr = 464.22, Dc = 1.660 g/cm3, μ = 0.789 mm-1, F(000) = 940, T = 293(2) K, R = 0.0764 and wR = 0.2441 for 1995 observed reflections with I > 2σ(I). In the crystal the manganese atom is six-coordinated by two chelated nitrogen atoms from phenanthroline, three oxygen atoms from water molecules and one oxygen atom from trifluoroacetate, completing an octahedral geometry.     

Preparation and Molecular Structure of (SCZ)(TNPG)·2H_2O

1 INTRODUCTION 2,4,6-Trinitro-1,3,5-trihydroxybenzene(trinitro- phloroglucinol, TNPG) is a strong acidic organic com- pound with yellow needle crystal structure. There are three nitro-groups and three phenolic hydroxyl groups conjugated with the ring, so it is an important explosive. It can react with metallic compounds forming metallic salts of TNPG, which have strong combustion and detonating properties. The lead salt of TNPG has been extensively studied and recom- mended to use as…     

Synthesis and Structure of Catena-[Bis(2-Methylimidazole)(μ-Phthalato)cobaltate(II)]

A new coordination compound [Co(Pht)(2-MeIm)₂] (I), where Pht^2–is the deprotonated radical of o-phthalic acid (H₂Pht) and 2-MeIm is 2-methylimidazole, was synthesized. Its structure was established using X-ray diffraction analysis. The crystal is orthorhombic: space group Pca2₁, a= 15.350(3), b= 7.957(2), c= 13.997(3) Å, (calcd.) = 1.505 g/cm³, and Z= 4. The tetrahedral coordination of the Co(II) atom includes two N atoms of two 2-methylimidazole molecules and two oxygen atoms of two carboxyl groups from different acid radicals. The Co–N distances are equal to 2.022(2) and 2.031(2) Å, while the Co–O distances are 1.972(2) and 2.000(2) Å. The carboxyl groups of the Pht^2–radical and the aromatic nucleus form angles of 47.2° and 35.9°, whereas the angle formed by the carboxyl groups themselves is 50.3°. Compound Iis a polymer, which is confirmed by the 1,6-bridging function of the o-phthalic acid radical. The Co···Co distance in a chain is equal to 7.367 Å. Separate chains are united in the crystal into a framework via N–H···O hydrogen bonds.     

Hydrothermal Synthesis and Crystal Structure of a Cobalt(Ⅱ) Polymer with One-dimensional Chain Structure: [Co(phen)(BDC)(H_2O)]_n·0.5nH_2BDC

A metal-organic coordination polymer [Co(phen)(BDC)(H2O)]n·0.5nH2BDC (H2BDC = terephthalic acid, phen = 1,10-phenanthroline) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in triclinic, space group P1 with a = 9.771(3), b =10.739(3), c = 11.249(4) , α = 75.946(3), β = 65.306(3), γ = 86.073(4)o, V = 1039.6(6) 3, C24H17CoN2O7, Mr = 504.33, Dc = 1.611 g/cm3, μ(MoKα) = 0.878 mm-1, F(000) = 516, Z = 2, the final R = 0.0547 and wR = 0.1138 for 2916 observed reflections (I > 2σ(I)). It exhibits a one-dimensional zigzag chain-like structure.     

Synthesis,Crystal Structure and Thermal Stability of(Diacetylacetone)(diimidazole)Nickel(Ⅱ)Complex

The title compound, [Ni(acac)2(Im)2] (acac = acetylacetone), has been obtained by the reaction of Ni(acac)2 with imidazole ligand in the ethanol solvent. The blue crystal is of triclinic, space group Pī with a = 7.472(2), b = 9.456(2), c = 13.823(3)A, α = 85.55(3), β = 89.03(3), γ = 80.63(3)o, C16H22N4NiO4, Mr = 393.09, V = 960.7(3)A3, Z = 2, Dc = 1.359 g/cm3, F(000) = 412, μ = 1.036 mm－1, R = 0.0549 and wR = 0.1615. The crystal structure consists of two disconnected structural units. Each Ni atom coordinated by two N atoms from two imidazole ligands and four O atoms from two acetylactone ligands adopts a slightly distorted octahedron. The structure characterization was performed by means of IR, UV, TG, elemental analysis and single-crystal X-ray analysis. The thermal gravity (TG) data indicate that thermal decomposition of the title compound takes place in two steps, and the residue is NiO.     

Synthesis and Crystal Structure of Bis(dicyanamide)(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane) Nickel(Ⅱ)

The nickel ( Ⅱ ) complex [Ni(teta) { N(CN)2 } 2] (teta = 5,7,7,12, 1 4, 1 4-hexamehyl- 1,4,8,1 1-tetraazacyclotetradecane) was synthesized and its structure has been determined by singlecrystal X-ray diffraction. Crystal data: C20H36N10Ni, monoclinic, space group P21/c, a = 9.632(2), b = 11.833(2), c = 10.613(2) A, β= 93.46(3)°, V= 1207.4(4) A3, Mr = 475.30, Z= 2, Dc= 1.307 g/cm3,F(000) = 508,μ(MoKα) = 0.831 mm-1, R = 0.0446 and wR = 0.1274 for 2423 observed reflections with I ＞ 2σ(I). The center nickel ion is coordinated by six nitrogen atoms, four from the macrocyclic ligand teta and the other two from two dicyanamides. The dicyanamide is coordinated to the metal atoms as uni-dentate manner via nitrile nitrogen atom.     

Synthesis, Crystal Structure and Thermal Stability of (Diacetylacetone)(diimidazole)Nickel(II) Complex

1 INTRODUCTION Acetylacetone is well known as the intermediate product of organic synthesis reaction, which can be used as annexing agent in gasoline, lubricant and desiccant in paint. Also it has been found to possess fungicidal and insecticidal activi…     

Synthesis and Crystal Structure of Mn(phen)(CF_3COO)(H_2O)_3·NO_3

1 INTRODUCTION The manganese(II) ion is a biologically essential element. Knowledge of its importance is increasing as more and more enzymes are found to contain manganese ions at the active center[1, 2]. The X-ray crystallographic structures of a consi…     

Synthesis and Crystal Structure of [Cd(NBA)(μ_3-OH)(4,4′-bipy)_(1/2)]_n

A new cadmium polymer [Cd(NBA)(μ3-OH)(4,4′-bipy)1/2]n 1 (NBA = m-nitrobenzoic acid and 4,4′-bipy = 4,4-bipyridine) has been synthesized by hydrothermal reaction. Its structure was determined by single-crystal X-ray diffraction method, and characterized by elemental analysis and IR spectrum. The crystal is of monoclinic, space group C2/c, with a = 15.6912(9), b = 25.9394(15), c = 6.7332(4) ′, β = 114.7700(10)°, V = 2488.4(3) 3, C12H9CdN2O5, Mr = 373.61, Z = 8, Dc = 1.995 g/cm3, μ = 1.776 mm-1, F(000) = 1464, R = 0.0411 and wR = 0.1128 for 2130 observed reflections (I > 2σ(I)). X-ray diffraction studies reveal that the compound features a layered structure, in which 4,4′-bipy ligands bridge Z type of double chains [Cd(μ3-OH)]n and NBA ligands locate at the two sides of the layer. The π-π interactions between the benzene rings of NBA ligands of two adjacent layers lead to the 3D framework.     

Synthesis and Crystal Structure of Bis[(2,6-pyridinedicarboxylato)(methanol)dibenzyltin(IV)]

ＩｎｔｒｏｄｕｃｔｉｏｎＤｉｏｒｇａｎｏｔｉｎｄｅｒｉｖａｔｉｖｅｓｏｆ 2 ,6 ｐｙｒｉｄｉｎｅｄｉｃａｒｂｏｘｙｌｉｃａｃｉｄｅｘｈｉｂｉｔｈｉｇｈｉｎｖｉｔｒｏａｎｔｉｔｕｍｏｕｒａｃｔｉｖｉｔｉｅｓ .1 5Ｔｈｅｓｅｃｏｍｐｏｕｎｄｓｈａｖｅｂｅｅｎｓｙｎｔｈｅｓｉｚｅｄｂｙｔｈｅｒｅａｃｔｉｏｎｏｆｄｉｏｒｇａｎｏｔｉｎｄｉｃｈｌｏｒｉｄｅｓｏｒｄｉｏｒｇａｎｏｔｉｎｏｘｉｄｅｓｗｉｔｈ 2 ,6 ｐｙｒｉｄｉｎｅｄｉｃａｒｂｏｘｙｌｉｃａｃｉｄ ,ｂｕｔｔｈｅｒｅａｃｔｉｏｎｂｅｔｗｅｅｎｔｒｉ …     

A Chain Structure Based on Homodinuclear Scandium Units: [Sc(μ-OH)(2,5-pydc)(H2O)]n

The reaction of pyridine-2,5-dicarboxylic acid with Sc2O3 under hydrothermal con-dition yields a new complex [Sc(μ-OH)(2,5-pydc)(H2P)]n 1 which has a chain structure based on homodinuclear scandium units. Crystal data for 1: space group P1, a = 6.7192(13), b = 7.6131(13),c= 8.9313(14) A, α = 95.976(6), β = 101.663(6),γ,= 108.151(5)°, V = 418.26(13) A3, Z = 2, Dc =1.946 g/cm3,μ = 0.889 mm-1, F(000) = 248, C7H6NO6Sc, M, = 245.09, the final R = 0.0429 and wR = 0.1086.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(II) Polymer with One-dimensional Chain Structure: [Cd(bpy)(BDC)]_n·nbpy

A metal-organic coordination polymer [Cd(bpy)(BDC)]n·nbpy (bpy = 2,2-bipyri- dine, H2BDC = terephthalic acid) has been hydrothermally synthesized and structurally characteri- zed by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group C2/c with a = 15.723(5), b = 21.695(5), c = 7.576(5) , β = 116.171(7)o, V = 2319.3(18) 3, C28H20CdN4O4, Mr = 588.88, Dc = 1.686 g/cm3, μ(MoKα) = 0.987 mm-1, F(000) = 1184, Z = 4, the final R = 0.0464 and wR = 0.0831 for 1882 observed reflections (I > 2σ(I)). It exhibits a three-dimensional network with channels constructed from one-dimensional coordination chains via C–H···O hydrogen bonds and significant aromatic π-π stacking interactions.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(Ⅱ) Polymer with One-dimensional Chain Structure: [Cd(bpy)(BDC)]n·nbpy

A metal-organic coordination polymer [Cd(bpy)(BDC)]n·nbpy (bpy = 2,2'-bipyri- dine, H2BDC = terephthalic acid) has been hydrothermally synthesized and structurally characteri- zed by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group C2/c with a = 15.723(5), b = 21.695(5), c = 7.576(5)(A), β = 116.171(7)o, V = 2319.3(18)(A)3, C28H20CdN4O4, Mr = 588.88, Dc = 1.686 g/cm3, μ(MoKα) = 0.987 mm(1, F(000) = 1184, Z = 4, the final R = 0.0464 and wR = 0.0831 for 1882 observed reflections (Ⅰ ＞ 2σI)). It exhibits a three-dimensional network with channels constructed from one-dimensional coordination chains via C-H…O hydrogen bonds and significant aromatic π-π stacking interactions.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(Ⅱ) Polymer with One-dimensional Chain Structure: [Cd(bpy)(BDC)]n·nbpy

A metal-organic coordination polymer [Cd(bpy)(BDC)]n·nbpy (bpy = 2,2'-bipyri- dine, H2BDC = terephthalic acid) has been hydrothermally synthesized and structurally characteri- zed by elemental analysis, IR spectrum, TG and single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group C2/c with a = 15.723(5), b = 21.695(5), c = 7.576(5)(A), β = 116.171(7)o, V = 2319.3(18)(A)3, C28H20CdN4O4, Mr = 588.88, Dc = 1.686 g/cm3, μ(MoKα) = 0.987 mm(1, F(000) = 1184, Z = 4, the final R = 0.0464 and wR = 0.0831 for 1882 observed reflections (Ⅰ ＞ 2σI)). It exhibits a three-dimensional network with channels constructed from one-dimensional coordination chains via C-H…O hydrogen bonds and significant aromatic π-π stacking interactions.