Crystal Structure,Thermal Behavior and Luminescence of a New Dimeric Manganese(Ⅱ) Complex Constructed with 3-Carboxy-1-carboxymethyl-2-oxidopyridinium

A new dimeric Mn（Ⅱ） complex,namely,[Mn（L）（PIP）]_2·H_2O（1）,was synthesized under hydrothermal condition（H_2L = 3-carboxy-1-carboxymethyl-2-oxidopyridinium and PIP = 2-（pyridin-3-yl）-1H-imidazo[4,5-f][1,10]phenanthroline）.It crystallizes in triclinic,space group P1 with a = 9.2037（13）,b = 9.6794（13）,c = 14.649（3） A,α = 94.858（3）,β = 94.928（3）,γ = 114.468（2）o,V = 1172.9（3） A^3,Z = 1,C_（52）H_（34）Mn_2N_（12）O_（11）,Mr = 1112.79,Dc = 1.575 g/cm^3,F（000） = 568,μ（Mo Ka） = 0.618 mm^-1,R = 0.0432 and w R = 0.1151.In 1,two L anions bridge two Mn（Ⅱ） atoms to give a dimeric [Mn（L）（PIP）] unit with the Mn···Mn distance of 3.009（2） A.The two PIP ligands are located on both sides of the dimer,which provides suitable π-π stacking interactions between PIP ligands.By these π-π stacking interactions,adjacent dimers are extended into a two-dimensional supramolecular layer.Further,the strong N–H···O hydrogen bond stabilizes the supramolecular layer structure of 1.Moreover,the thermal behavior and luminescent property of 1 have been studied.

Synthesis and Crystal Structure of Cis-syn Cyclobutane 1-(Carboxyethyl)thymine Dimer Monopentyl Amide Monotryptophan Methyl Ester Amide

The crystal structure of the title compound （C34H47NTO9, Mr = 697.79） has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21 with a = 9.000（8）, b = 11.360（10）, c = 17.841（15.）/k, β = 97.083（14）°, V = 1810（3）A^3, Z = 2, F（000） = 744, D,.= 1.280 g/cm^3,/t = 0.094 mm^-1, the final R = 0.0721 and wR = 0.1942 for 2479 observed reflections with I 〉 2σ（I）. The two methyl groups attached to the cyclobutane ring are cis oriented. An intramolecular hydrogen bond （N（6）-H（6）…O（8）） introduces rigidity into the title molecule and the crystal structure is stabilized by intermolecular N-H…O hydrogen bonds.

Synthesis and X-ray Crystal Structure of a Methylene-bridged Glycoluril Dimer

The synthesis and X-ray crystal structure of a methylene-bridged glycoluril dimer 2 was reported.The methylene-bridged glycoluril dimer 2（C38H36Br4N8O12,Mr=1116.35） crystallizes in space group P1 with a=10.5802（6）,b=16.8469（9）,c=24.7673（14） ,α=98.00,β=96.263（1）,γ=101.606（1）o,V=4239.3（4）3,Z=4,Dc=1.749 g/cm3,μ=3.869 mm-1 and F（000）=2224.It crystallizes in an S-shaped conformation that displays two ethoxycarbonyl groups on each face of the molecule.

Synthesis and Crystal Structure of an Inorganic- organic Hybrid [DMAPM]^+[CdI_3]^-: The First Example of Cd_2I_6^(2-) Dimer

A new inorganic-organic hybrid, [DMAPM]+[CdI3]- (DMAPM+ = p-dimethyla- mino-1-methyl-pyridinium), has been synthesized by the reaction of [DMAPM]+I and CdI2, and characterized by IR and elemental analysis. The crystal structure was obtained via X-ray single- crystal diffraction with the following data: triclinic, space group P1, a = 8.0974(9), b = 9.6187(10), c = 10.5028(8) ? = 75.049(6), = 86.321(3), = 87.791(3)? V = 788.50(13) 3, Dc = 2.655 g/cm3, Z = 2, R = 0.0385 and wR = 0.0976. In the structure, one cadmium and four iodine atoms form a tetrahedral geometry, and two of such tetrahedra are connected in a co-line way to constitute Cd2I62 dimer. To our knowledge, this is the first example of dimerized CdI4 tetrahedron. All of the dimers are packed in the same mode, while the [DMAPM]+ cations are anti-parallelly arrayed.

A New Cadmium(Ⅱ) Dimer Constructed by 1,10-Phenanthroline Derivative and Chlorine Anions: Syntheses, Crystal Structure and Photoluminescence

In this work, a new Cd（Ⅱ） dimeric compound, [Cd（Cl）2（L）（H2O）]2 （1, L = 2-（4- fluorophenyl）-lH-imidazo[4,5-f][1,10]phenanthroline）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a = 8.944（2）, b = 18.781（5）, c = 10.904（3） A, β = 91.392（4）°, V = 1831.2（8） A^3, Z = 2, C3sH26Cd2F2C14Cl4N8O2, Mr = 1031.27, Dc = 1.870 g/cm3, F（000） = 1016, μ（MoKα） = 1.513 mm^-1, R = 0.0532 and wR = 0.1407. Each Cd（ll） atom is in an octahedral coordination sphere, completed by two nitrogen atoms from one L ligand, two chlorine anions, and one water oxygen atom. Two chlorine anions bridge two Cd（Ⅱ） atoms to give a dimer [Cd（Cl）2（L）（H2O）]2. Adjacent dimers are stacked by one type of π…π interactions among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π…π interactions among L ligands to give a 2D supramolecular layer. Finally, the luminescent property of 1 has been studied in solid state at room temperature.

Synthesis and Crystal Structure of a Cr(Ⅲ) Dimer[Cr_2(8-hqn)_2Cl_4(H_2O)_2]·2(CH_3)_2CO (8-hqn=8-Hydroxyoxyquinolate)

The title complex [Cr2（8-hqn）2Cl4（H2O）2]·2（CH3）2CO （8-hqn = 8-hydroxyoxyquinolate） has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P^-1 with a = 8.719（1）, b = 9.226（1）, c = 9.717（1） A^°, α = 71.916（2）, β= 78.072（2）, γ = 76.014（2）°, V= 713.72（15） A^°^3, Z= 1, Dc= 1.597g/cm^3, F（000） = 350 and μ（MoKa） = 1.177 mm^-1, the final R = 0.0490 and wR = 0.1055 for 1616 observed reflections with I 〉 2σ（I）. It is a dimer constructed by two monomeric units [Cr（8-hqn）Cl2（H2O）] bridged by phenoxide-like oxygen atom from 8-hydroxyoxyquinolate, where the two six-coordinated Cr（Ⅲ）atoms exhibit an octahedral coordination geometry.

Synthesis, Crystal Structure and Thermal Behavior of a New Lead Dimer: [Pb(L)(adip)]_(2n)

A new coordination compound, [Pb（L）（adip）]2n （L = 11-fluoro-dipyrido[3,2- a：2＇,3＇-c]phenazine and H2adip = adipic acid）, has been synthesized under hydrothermal conditions and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.8764（16）, b = 9.8088（17）, c = 12.948（2） A, α = 81.597（3）, β = 80.183（3）, y = 73.918（3）°, V= 1061.5（3） A3, Z = 2, C24H17FNaO4Pb, Mr = 651.61, Dc = 2.039 g/cm^3, F（000） = 624,μ（MoKa） = 7.997 mm^-1, R = 0.0347 and wR = 0.0795. Adjacent Pb（lI） atoms are bridged by two adip ligands to furnish a dimer with a long Pb.＂Pb distance of 9.019 A. The lateral L ligands from neighboring dimers are paired through the strong π-π interactions, yielding a fascinating 2D supramolecular layer.

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

The title complex [K (dndb ) (H2O) (NCS ) ], (dndb = trans-dinitro-dibenzo-- 18 -- crown -- 6 -- ether ) crystallied in triclinic system, space group Pl wit h unit celldimensions a= 7. 844 (4), b= 11. 979(8), c= 14. 436(11) A; a= 75. 62(6), β=80. 15(5), γ= 71. 94(5)°, M.= 1131. 39, V= 1243(2) A3, Z= l, F(000) = 588, D.= 1. 511 g/cm3, μ= 10. 5 cm-l (MoKa). The final R= 0. 045 for 2740 observed reflections (I＞3σ). The title complex molecule is a dimer complex and the potassium(I) ionis nine--coordinated, being bonded to one NCS-- anion, one H2O molecule, six oxygenatoms of a crown ether ligand and an oxygen atom of a nitro of another crown ether ligand. The potassium(I) ion and the nine atoms bonded with it are all in two planeswhich are approximately vertical with each other. The trans--dinitro-- dibenzo-- 18 -- crown6 is a heptadentate ligand.

Synthesis, Crystal Structure and Luminescence of a New Zn(Ⅱ) Dimer: [Zn(bpdc)(L)]_2·4H_2O

A new dimeric compound, [Zn（bpdc）（L）]2·4H2O（1, L = 11-fluoro-dipyrido[3,2-a：2＇,3＇-c]phenazine and bpdc = 1,1＇-biphenyl-2,2＇-dicarboxylate）, has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 23.671（5）, b = 22.547（5）, c = 13.741（3）A, β = 123.47（3）°, V = 6118（2） A3, Z = 4, C66H44Cl2F2N8O12Zn2, Mr = 1380.73, Dc = 1.499 g/cm3, F（000） = 2816, μ（MoKa） = 0.949 mm-1, R = 0.0572 and wR = 0.1620. In 1, Zn1 and the symmetry formed Zn1 ions are connected by four bridging bidentate carboxylate groups from two independent bpdc anions to yield a binuclear unit with the Zn···Zn separation by bpdc anions of 4.168. Two L ligands are located on both sides of the dimer in chelating bidentate modes. The lateral L ligands from neighboring dimers are paired through strong π-π interactions to result in a fascinating 1D ladder-like supramolecular array. In addition, neighboring supramolecular ladders are packed each other to yield a 3D supramolecular architecture with a 1D channel.

Crystal Structure of Bridged Dimer Complex of [Yb (H_2O)) (acac)_2 (Ac)]_2

The title complex C24H38O14Yb2(Mr=896. 62 ) crystallized in orthorhombic system, space group Pbcn with unit cell dimensions a=13. 478 (4), b=16. 161(7), c=15. 110(5); V=3291. 2(2); Z=4; F(000) = 1736; Dc=1. 810g. cm-3;μ= 17. 5 cm-1 (MoKa). The final R and Rw are 0.061 and 0.058 respectively. The title complex is a bridged dimer. The ligands that bridge two Yb(Ⅲ) centerions are the two acetatos in the complex and every Yb(Ⅲ) ion is eight-coordinated, being bonded to one O atom of one H,O molecule, four O atoms of two acetylacetonatos,two O atoms of an acetato and one O atom of another acetato. The coordination polyhedron of the Yb(Ⅲ) ion in the title complex is a dodecahedron.

Synthesis and Crystal Structure of 1-(4-Chlorophenyl)-2-cyano-3-amino-3a-hydroxy- 3a,3b,6,7-tetrahydrobenzo[4,5]indene

The title compound 1-（4-chlorophenyl）-2-cyano-3-amino-3a-hydroxy-3a,3b,6,7- tetrahydro-benzo[4,5]indene 2, has been synthesized by the reductive cyclization of 2-cyano-3- （4-chlorophenyl）-3-（1-tetralon-2-yl） propionitrile 1 induced by low-valent titanium reagent and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 28.244（7）, b = 14.401（3）, c = 21.245（3）A,β= 115.71（2）°, V = 7786（3）A^3, Mr= 696.13, Dc = 1.188 g/cm^3, Z = 8,μ（MoKα） = 0.208 mm^-1, F（000） = 2916, R = 0.0783 and wR = 0.2350. X-ray analysis reveals that the five-membered ring （C（7）～C（l l）） adopts an envelop conformation, while the six-membered ring （C（10）～C（14）, C（19）） has a half-chair conformation. Meanwhile, intermolecular H-bond interactions result in the formation of polymer.

Synthesis and Crystal Structure of 1,3-Trans-1,4-cis- 3,4-di(4-bromophenyl)-1',2',3'-trihydro-1-hydroxy- benzo[g]bicyclo[3.3]octane-2-spiro-2'-indene-1'-one

The title compound C35H30Br2O3 （C32H24Br2O2·CH3COCH3） has been synthesized by the dimerization of 2-（4＇-bromobenzal）-1-indenone induced by low-valent titanium reagent, and characterized by elemental analysis, IR,^1H NMR and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1^- with a = 10.273（7）, b = 11.036（7）, c = 13.944（9） ,A°, a = 73.972（9）, β =76.577（10）,γ= 88.871（10）°, V = 1476.3（17）A°^3, Mr = 658.41, Z = 2, Dr = 1.481 g/cm^3, μ（MoKa） = 2.780 mm^-1, F（000） = 668, the final R = 0.0452 and wR = 0.0975. X-ray analysis reveals that the two cyclopentane rings spiro-fused each other adopt envelope conformations, while the other cyclopentane ring （C（1）--C（2）-C（7）-C（9）） is coplanar. In addition, there is a classical intermolecular hydrogen bond O（1）-H（1）...O（2） connecting the adjacent molecules into dimers.

Crystal and Molecular Structure of Copper (Ⅱ) Dimeric Complex of S-Methyl-β-N-(Pyridine N-Oxide-2-ylmethylidene) Dithiocarbazate with Acetonitrile

The crystal and molecular structure of copper(Ⅱ) dimeric complex of S-methyl-B-N-(pyridine N-oxide-2-ylmethylidene) dithiocarbazate with acetonitrile, [CuL (CH3CN)]2 (ClO4)2, was determined by X-ray diffraction. The complex crystalizes in monoclinic system with space group P21/n, a= 7. 685(2), 6=20.160(6), c= 10. 847(5) A ,B = 107.89(3), Z=2,Dc=1.788 g/cm3, F(000) = 835. 8, u= 18. 17 cm-1(Moka,R= 0. 057.Each Cu(Ⅱ) ion in the complex is surrounded by a distorted square pyramidal. The basal plane is comprised of S, N and O atoms of one ligand together with a N atom of the solvent--acetonitrile, while the axial position is occupied by the S atom of the other ligand. The bond length of Cu-S(bridging) is 3. 038A . and Cu-Cu distance is 3. 700A.

Crystal Structure of 3-Methyl-4-methoxy-3-(3-methyl-4- methoxy-2-benzofuranyl) -2-H-benzofuranyl

The crystal structure of the title compound (C 20 H 20 O 4, M r =324.36) has been determined by single crystal X ray diffraction. The crystal is monoclinic with space group P2 1/c, a=9.506(1), b=14.499(9), c=12.077(1) , β=93.55(3)°, V=1661.3(3) 3, Z=4, D c =1.297g/cm 3, λ=0.71073 , μ (Mo Kα )=0\^090mm -1 , F (000)=688. The structrue was refined to R=0.0516, wR(F 2 )=0\^1266 for 2947 reflections with I > 2σ(I). X ray diffraction analysis reveals that the title compound is a pseudo\|dimer of benzofuran and there is a chiral carbon atom which causes the two neighbor hydrogen atoms magnetically nonequivalent.

Synthesis,Crystal Structure and Luminescence of a New Zn(Ⅱ) Complex [Zn(1,2,3-HBTC)(L)]_2 Constructed by Mixed Ligands

A new Zn（Ⅱ） complex,[Zn（1,2,3-HBTC）（L）]2（1,L = 2-（2-chloro-6-fluorophenyl）-1H-imidazo[4,5-f][1,10]phenanthroline and 1,2,3-H3 BTC = 1,2,3-benzentricarboxylic acid）,was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction.It crystallizes in triclinic,space group P1 with a = 10.455（2）,b = 11.533（2）,c = 12.499（3） A,α = 116.97（3）,β = 94.08（3）,γ = 103.29（3）o,V = 1280.2（4） A^3,Z = 1,C56H28Cl2F2N8O12Zn2,Mr = 1244.50,Dc = 1.614 g/cm^3,F（000） = 628,μ（Mo Ka） = 1.124 mm^-1,R = 0.0502 and w R = 0.1417.In compound 1,two 1,2,3-HBTC anions bridge two Zn（Ⅱ） atoms to give a dimeric structure with Zn···Zn distance of 3.15 A.Adjacent dimers interact through π-π stackings between two L ligands to result in a supramolecular layer.Moreover,N–H···O and O–H···N hydrogen bonds further stabilize the 2D supramolecular architecture of 1.In addition,the luminescent property of 1 has been studied.

Crystal Structure of Indenyl-3-indenyl

The crystal structure of the title compound (C18H16, Mr = 232.31) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 6.3449(9), b = 6.6297(9), c = 15.727(2) ? ?= 94.338(3), ?= 0.71073 ? ?= 0.066 mm-1, V = 659.66(16) 3, Z = 2, Dc = 1.170 g/cm3 and F(000) = 248. The structure was refined to R = 0.0560 and wR = 0.1426 for 771 observed reflections with I > 2(I). X-ray diffraction analysis reveals that the title compound is a dimer of indene.

Syntheses,Crystal Structures,Non-covalent Interactions and Properties of a Nickel(Ⅱ)Complex Monomer and Its Dimer

A pair of nickel(Ⅱ)complexes monomer and dimer,namely[NiCl2(L)](1)and[Ni2Cl2(L)2(μ-Cl)2](2)(L=2-morpholine-4-yl-4,6-di-pyrazol-1-yl-1,3,5-triazine),were synthesized by using L to react with NiCl2·2 H2 O at 35 and 65℃,respectively.X-ray crystal structures of complexes 1 and 2 were determined.Complex 1 is mononuclear and its nickel(Ⅱ)center resides in a distorted square-pyramidal environment with a NiN3Cl2 donor set,but complex 2 is binuclear and its nickel(Ⅱ)center shows a distorted octahedral geometry with a NiN3Cl3 donor set.In complex 2,two adjacent nickel(Ⅱ)centers are connected by two bridging chloride anions.Complexes 1 and 2 form different three-dimensional supramolecular structures through non-covalent interactions such asπ-πstacking interactions,anion-πinteractions and weak hydrogen bonds.Both complexes were further characterized by thermal gravimetric analyses and spectroscopic methods.

Crystal structure of human Gadd45 reveals an active dimer

The human Gadd45 protein family plays critical roles in DNA repair,negative growth control,genomic stability,cell cycle checkpoints and apoptosis.Here we report the crystal structure of human Gadd45,revealing a unique dimer formed via a bundle of four parallel helices,involving the most conserved residues among the Gadd45 isoforms.Mutational analysis of human Gadd45 identified a conserved,highly acidic patch in the central region of the dimer for interaction with the proliferating cell nuclear antigen(PCNA),p21 and cdc2,suggesting that the parallel dimer is the active form for the interaction.Cellular assays indicate that:(1)dimerization of Gadd45 is necessary for apoptosis as well as growth inhibition,and that cell growth inhibition is caused by both cell cycle arrest and apoptosis;(2)a conserved and highly acidic patch on the dimer surface,including the important residues Glu87 and Asp89,is a putative interface for binding proteins related to the cell cycle,DNA repair and apoptosis.These results reveal the mechanism of self-association by Gadd45 proteins and the importance of this self-association for their biological function.

Synthesis and crystal structures of bis(cyclopentyl)gallium phenoxide dimer and bis (cyclopentyl) gallium naphthoxide dimer

Tricyclopentylgallium reacted with phenol, naphthol respectively to yield phenox-ide (or naphthoxide) of biscyclopentylgallium which have been characterized by elemental analysis, IR, 1H NMR and mass spectrometry. X-ray diffraction analysis of compound 1 indicated that it belongs to the monoclinic system, space groups P21/c, with cell constants 0=9.602(3), 6=14.365(7), c=11.256(4)A, and β=97.54(3)°, Z=2(dimers), R=0.0706. Compound 2 assigned to the triclinic system, space groups P1 with cell constants a=9.392(4), 6=9.928(7), c=11.263(7) A, a=112.48(5), β=104.74(4), γ=99.95(5)°, and Z=l(dimers), R=0.0526. The molecule of 1 or 2 contains an oxygen-bridged coplanar Ga2O2 four-membered ring respectively.

A Diphenoxo-bridged Ferromagnetic Copper(Ⅱ) Dimer Based on N-(2-Hydroxybenzyl)salicylaldimine

A new dinuclear copper（Ⅱ） complex, [Cu（L）（py）]2 1 （H2L = N-（2-hydroxybenzyl）- salicylaldimine, py = pyridine）, has been synthesized and characterized by elemental analysis, IR and UV spectra. 1 crystallizes in space group P2 1/n with a = 8.2106, b = 10.715, c = 17.864A, β = 99.365°, V = 1550.7A3, Z = 4, C19H16CuN2O2, Mr = 367.88, Dc = 1.576 g/cm3,μ（MoKα） = 1.422 mm-1, F（000） = 756, the final R = 0.0280 and wR = 0.0746. Complex 1 is a centrosymmetric dimer with two copper（H） centers, two py ligands and two L2- ligands. Each L2- ligand donates its azomethine nitrogen and one of the phenolate groups to one copper（Ⅱ） ion and shares the other phenolate group between the two copper（H） ions, affording a Cu2O2 plane. Each copper（Ⅱ） center has a slightly distorted square pyramidal geometry with a bridging phenolate group at the apex. Magnetic studies suggest the presence of a weak ferromagnetic interaction Via two phenoxo bridges. The magnetic susceptibility data （2-300 K） of complex 1 were analyzed by means of H = -2JS1S2 -DSz. The least-squares fitting of the data to the theoretical equation leads to J = 10.3 cm-1, g = 2.03, D = 0.67 cm-1 and R = ∑（Xobsd -Xcalcd）2/∑Xobsd2= 2.76 × 10^-3.