Syntheses,Crystal Structures,and Antimicrobial Activities of 3-Bromo-N＇-（2- chloro-5-nitrobenzylidene）benzohydrazide and 3-Bromo-N＇-（4-nitrobenzylidene）benzohydrazide

Two new hydrazone compounds, 3-bromo-N'-(2-chloro-5-nitrobenzylidene)-ben- zohydrazide 1 and 3-bromo-N'-(4-nitrobenzylidene)benzohydrazide 2, have been synthesized and characterized by elemental analysis, IR spectra, 1H NMR, and single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a=7.7924(10), b=24.490(3), c=7.8989(9) , β=94.987(6)°, V=1501.7(3) 3, Z=4, R=0.0345 and wR=0.0739. Compound 2 crystallizes in monoclinic, space group P21/c with a=7.4099(11), b=24.868(4), c=8.3255(12) , β=112.796(8)°, V=1414.3(4) 3, Z=4, R=0.0744 and wR=0.1912. Both compounds display E configurations with respect to the C=N double bonds. In the crystal structure of 1, molecules are linked through N-H…N and N-H…O hydrogen bonds, forming chains running along the c axis. In the crystal structure of 2, molecules are linked through N-H…O hydrogen bonds, forming chains running along the c axis. The preliminary antimicrobial activities were studied.     

A New Cadmium（Ш） Polymer Based on 3,5-Pyrazoledicarboxylic Acid：Hydrothermal Synthesis and Crystal Structure

The reaction of CdCl3.2.5H2O with 3,5-pyrazoledicaiboxylic acid under hydrother-mal conditions produce a novel three-dimensional(3-D) coordination polymer [Cd2(C5H2O4N2)2.2H2O]n.The title compound crystallizes in the monoclinic system,space group P21/c with a = 6.422(4),b = 12.334(7),c = 8.936(6) ,β = 104.793(7)°,V = 684.4(7) 3,Z = 4,Dc = 2.761 g/cm3,μ = 3.181 mm-1,F(000) = 544,R = 0.0248 and wR = 0.0624.In the crystal structure of the title compround,molecules are linked through N-H...O hydrogen bonds,forming chains running along the a axis.Every Cd(Ш) coordinates with four molecules of ligand and one water molecule,forming a pentagomal-bipyramidal geometry.     

Synthesis and Crystal Structure of 3,3'-Bis(5-(N-(4-hydroxylphenyl)imidomethyl)- pyrrol-2-yl)pentane·2CH_3OH

3,3'-Bis(5-(N-(4-hydroxylphenyl)imidomethyl)pyrrol-2-yl)pentane 1 has been synthesized and characterized. The crystal of its methanol complex, 1·(CH3OH)2, belongs to the orthorhombic system, space group Pccn with a = 18.094(2), b = 11.6890(16), c = 13.3629(19) , V = 2826.3(7) 3, Z = 8, C14.5H18N2O2, Mr = 252.31, Dc = 1.186 g/cm3, F(000) = 1080 and μ(MoKα) = 0.080 mm-1. The final R = 0.0662 and wR = 0.1801 for 1908 observed reflections with I 2σ(I), and R = 0.0800 and wR = 0.1948 for all reflections. In the solid state, bridged by included methanol molecules, the molecules of compound 1 form interpenetrated grid structure through N–H···O and O–H···O hydrogen bonds.     

Synthesis, Crystal Structure and Photoluminescent Property of a Novel Silver(Ⅰ) Compound {[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n

Self-assembly of Ag(Ⅰ) nitrate, 1,3-bis(4-pyridyl)propane (bpp) and phthalic acid monopotassium salt (KHphth) in CH3OH-H2O solution produced the title complex,{[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n, which was characterized by single-crystal X-ray diffraction,elemental analysis, IR spectrum, and photoluminescent spectrum. Single-crystal X-ray analysis revealed that the complex crystallizes in a monoclinic system, space group P21/c, with α =15.4174(5), b = 8.6398(2), c = 25.2466(8) (A), β = 91.072(1)°, V = 3362.34(17) (A)3, Z = 4,C34H37N5O9Ag2, Mr = 875.43, Dc = 1.729 g/cm3, μ = 1.228 mm-1, F(000) = 1768, the final R =0.0749 and wR = 0.1580 for 5754 reflections with I ＞ 2σ(I). The Ag atom is coordinated by two N atoms from two bpp molecules in an approximately linear geometry. The Ag(Ⅰ) ions are linked by the bpp molecules to form one-dimensional zigzag chains propagating along the c axis. The Hphth-and nitrate counter-ions are bridged by solvent water molecules through hydrogen bonds to generate a one-dimensional chain extending along the b axis. Electrostatic interactions between cations and anions, extensive hydrogen bonds and π-π interactions are responsible for the three-dimensional supramolecular structure. In the solid state, the compound exhibits blue photoluminescence with the maximum at 436 nm upon excitation at 344 nm.     

Synthesis, Crystal Structure and Photoluminescent Property of a Novel Silver(Ⅰ) Compound {[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n

Self-assembly of Ag(Ⅰ) nitrate, 1,3-bis(4-pyridyl)propane (bpp) and phthalic acid monopotassium salt (KHphth) in CH3OH-H2O solution produced the title complex,{[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n, which was characterized by single-crystal X-ray diffraction,elemental analysis, IR spectrum, and photoluminescent spectrum. Single-crystal X-ray analysis revealed that the complex crystallizes in a monoclinic system, space group P21/c, with α =15.4174(5), b = 8.6398(2), c = 25.2466(8) (A), β = 91.072(1)°, V = 3362.34(17) (A)3, Z = 4,C34H37N5O9Ag2, Mr = 875.43, Dc = 1.729 g/cm3, μ = 1.228 mm-1, F(000) = 1768, the final R =0.0749 and wR = 0.1580 for 5754 reflections with I ＞ 2σ(I). The Ag atom is coordinated by two N atoms from two bpp molecules in an approximately linear geometry. The Ag(Ⅰ) ions are linked by the bpp molecules to form one-dimensional zigzag chains propagating along the c axis. The Hphth-and nitrate counter-ions are bridged by solvent water molecules through hydrogen bonds to generate a one-dimensional chain extending along the b axis. Electrostatic interactions between cations and anions, extensive hydrogen bonds and π-π interactions are responsible for the three-dimensional supramolecular structure. In the solid state, the compound exhibits blue photoluminescence with the maximum at 436 nm upon excitation at 344 nm.     

Synthesis, Crystal Structure and Photoluminescent Property of a Novel Silver(I) Compound {[Ag(bpp)]_2(Hphth)(NO_3)·(H_2O)_2}_n

Self-assembly of Ag(I) nitrate, 1,3-bis(4-pyridyl)propane (bpp) and phthalic acid monopotassium salt (KHphth) in CH3OH-H2O solution produced the title complex, {[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n, which was characterized by single-crystal X-ray diffraction, elemental analysis, IR spectrum, and photoluminescent spectrum. Single-crystal X-ray analysis revealed that the complex crystallizes in a monoclinic system, space group P21/c, with a = 15.4174(5), b = 8.6398(2), c = 25.2466(8) , β = 91.072(1)o, V = 3362.34(17) 3, Z = 4, C34H37N5O9Ag2, Mr = 875.43, Dc = 1.729 g/cm3, μ = 1.228 mm-1, F(000) = 1768, the final R = 0.0749 and wR = 0.1580 for 5754 reflections with I > 2σ(I). The Ag atom is coordinated by two N atoms from two bpp molecules in an approximately linear geometry. The Ag(I) ions are linked by the bpp molecules to form one-dimensional zigzag chains propagating along the c axis. The Hphth- and nitrate counter-ions are bridged by solvent water molecules through hydrogen bonds to generate a one-dimensional chain extending along the b axis. Electrostatic interactions between cations and anions, extensive hydrogen bonds and π-π interactions are responsible for the three-dimensional supramolecular structure. In the solid state, the compound exhibits blue photoluminescence with the maximum at 436 nm upon excitation at 344 nm.     

Synthesis and Crystal Structure of Bis（p—aminotoluene）—bis（dimethylglyoximato） Cobalt（Ⅲ） Perchlorate

The title compound (C22H32.5ClCoN6O8.25,Mr=607.42)crystallizes in the orthorhombic system,space group c222 1 with a=11.320(2),b=20.933(4),c=23.936(5)A,V=5672(2)A^3,Dc=1.423g/cm^3,Z=8,μ(MoKα）=0.754mm^-1,F(000)=2532,R=0.0512 and wR=0.1190,There are eight complex molecules [Co(C4H6N2O2)(C4H8N2O2)(C7H9N)2]ClO4.0.25H2O of C2 crystallographic symmetry in a unit cell,including two crystallographically independent molecules,in which different orientations of the MePhNH2 groups are found.Two MephNH2 groups are in trans position for molecule A,and cis for B.The central metal atom is in a distroted octahedral environment.The hydrogen bonds of O-H(oxime)…O and N-H(p-aminotoluene group)…O construct an one-dimensional chain along the c axis in the title compound.     

Synthesis and Crystal Structure of a Three-dimensional Manganese(Ⅱ)Complex (tataH)2[Mn(pydc)2]·4H2O(tata= 2,4,6-Triamino-1,3,4,-triazine,pydcH2= Pyridine-2,6-dicarboxylic Acid)

A manganese(Ⅱ) complex (tataH)2[Mn(pydc)2]·4H2O (C20H28MnN14O12, Mr = 711.50, tata = 2,4,6-triamino-1,3,5-triazine, pydcH2 = pyridine-2,6-dicarboxylic acid) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1, with a = 9.9847(3), b = 10.9813(3), c = 15.2616(5) (A), α =101.5310(10), β = 90.2610(10), γ = 116.4600(10)°, V = 1459.44(8) A3, Z = 2, Dc = 1.619 g/cm3, μ = 0.539 mm-1, F(000) = 734, the final R = 0.0292 and wR = 0.0745. In the crystal the MnⅡ atom is six-coordinated by four carbonyl oxygen atoms and two pyridine nitrogen atoms from two tridentate H-bonded tetramer. The molecules are packed in a three-dimensional framework structure by the combination of O-H…O,N-H…O and N-H…N hydrogen bonds between (tataH) ,[Mn(pydc)2]2- and crystal water.     

New Efficient Copper(Ⅱ)-catalyzed Direct Access to Primary Amide from Aldehyde under Solvothermal Condition and Related Crystal Structure Study

Two 1-methyl-1H-benzo[d]imidazole derivatives, C_(18)H_(14)CuN_4O_4·C_4H_8O_2(1) and C_9H_9N_3O(2), have been synthesized and characterized by NMR, MS, FT-IR, elementary analysis and X-ray single-crystal diffraction. Compound 1 crystallizes in monoclinic, space group P2_1/n with a = 9.6888(3), b = 7.3772(2), c = 14.3277(4) ?, β = 95.819(3)°, V = 1018.81(5) ?~3, M_r = 501.98, Z = 2, D_c = 1.636 g/cm~3, F(000) = 518, μ = 1.123 mm~(-1), MoKα radiation(λ = 0.71073 ?), the final R = 0.0325 and wR = 0.0859 for 1821 observed reflections with I 2σ(I). Compound 2 crystallizes in monoclinic, space group C2/c with a = 14.2908(14), b = 14.4268(13), c = 8.4802(6) ?, β = 108.513(9)o, V = 1657.9(3) ?~3, M_r = 175.19, Z = 8, D_c = 1.404 g/cm~3, F(000) = 736, μ = 0.097 mm~(-1), Mo Kα radiation(λ = 0.71073 ?), the final R = 0.0563 and wR = 0.1531 for 1231 observed reflections with I 2σ(I). Intermolecular(N-H···N, N-H···O) and intramolecular(N-H···N, C-H···O) hydrogen bonds, as well as C-H···π and π-π stacking interactions, help to stabilize the crystal structure of compound 2.     

Synthesis and Crystal Structure of N-（1′-H-Pyrrol- 2′-ylcarbonyl）-5-amino- 1,10-phenanthroline

The title compound, N-（1′-H-pyrrol-2′-ylcarbonyl）-5-amino-1,10-phenanthroline, was synthesized by the reaction of a-pyrrolyl carbonyl chloride and 5-amino-1,10-phenanthroline in pyridine. Determined by X-ray structure analysis, it crystallizes in triclinic system, space group P1 with the following crystallographic data： C20H21N5O3, Mr = 379.42, a = 7.8559（4）, b = 9.1681（6）, c = 14.6818（9） A, α= 73.254（10）,β= 88.938（15）, γ= 68.080（10）°, V= 934.66（10） A3, Z = 2, F（000） = 400, Dc = 1.348 g/cm^3 and p = 0.094 mm-1. The final R = 0.0680 and wR = 0.1419 for 2142 observed reflections with I 〉 2σ（/）, and R = 0.1084 and wR = 0.1643 for all reflections. Two aromatic ring planes （pyrrole and phenanthroline rings） are connected by the amide plane. Two different types of intermolecular hydrogen bonds, O-H…N and N-H…O, exist in the crystal. The title complex molecules are connected through hydrogen bonds and weak π-π stacking interactions to generate a 3-D supramolecule.     

Structures of 1-（3,4-Dihydroxyphenyl）-2-（3,4-dimethoxyphenyl） ethanone and Its Hydrate Complex

The title compounds, C16H16O5 (I) and C16H16O5·H2O (II), were structurally characterized by single-crystal X-ray diffraction. Compound I crystallizes in monoclinic space group P21/c with a = 10.5574(10), b = 8.3576(9), c = 16.5528(16) , β = 91.762(3)°, Z = 4, R = 0.0524 and wR = 0.1084. The molecules are jointed into a chain by intermolecular O-H···O and C-H···O hydrogen bonds, which form layers parallel to (001). The chains run along the [110] and [110] directions alternatively layer by layer, and are assembled into a network by intermolecular O-H···O (carboxyl) hydrogen bonds. On the other hand, the hydrate complex (II) crystallizes in the triclinic space group P1 with a = 5.1451(2), b = 10.4583(4), c = 14.8267(5) , α = 70.900(2), β = 82.478(2), γ = 81.359(2)°, Z = 2, R = 0.0393 and wR = 0.0983. The molecules are linked into infinite two-dimensional ribbons by O-H···O (carbonyl) and solvent-bridged O-H···O hydrogen bonds.     

Syntheses and Crystal Structures of Two Supramolecular Architectures:(H_2tfbdc)·(tfbdc)·(Hbipy)_2 and (tfbdc)·(H_2pz)(tfbdc=Tetrafluoroterephthalate,bipy=4,4'-Bipyridine,pz=Pyrazine)

Two new supramolecular compounds,2C 10 H 9 N 2 + ·C 8 HF 4 O 4 2-·C 8 H 2 F 4 O 4 /(H 2 tfbdc)· (tfbdc)·(Hbipy) 2 (1) and C 4 H 6 N 2 2+ ·C 8 HF 4 O 4 2-/(tfbdc)·(H 2 pz) (2),were synthesized and characterized by elemental analysis,IR spectra,and single-crystal X-ray diffraction.Compound 1 crystallizes in the triclinic system,space group P1,with a=8.3453(12),b=10.1798(15),c=10.6626(16),α=87.591(2),β=74.047(2),γ=69.006(2)°,V=834.53(12) 3,D c=1.614 g/cm 3,F(000)=400,u=1.45 cm-1,Z=2,the final R=0.0353 and wR=0.1005 for 5882 observed reflections with I > 2σ(I);and compound 2 crystallizes in the monoclinic system,space group P2 1 /c,with a=10.471(4),b=5.4419(19),c=12.249(4),β=114.909(6)°,V=633(4)3,D c=1.669 g/cm 3,F(000)=320,u=1.63 cm-1,Z=2,the final R=0.0794 and wR=0.2923 for 3213 observed reflections with I > 2σ(I).Both compounds 1 and 2 crystallize as charge-transfer organic salts with the dianionic or neutral acid components lying at the inversion centers.Hbipy + cations and anionic acid in compound 1 are linked to form a chain by means of C-H···O hydrogen bonds.Adjacent chains are further extended into a two-dimensional layer network via N-H···O and O-H···N hydrogen bonds.In compound 2,the acid and base subunits are arranged alternately to generate a linear tape motif via N-H O hydrogen bonds;these tapes are further combined into a three-dimensional array with CdSO 4 topology via C-H O intermolecular hydrogen bonds.     

Synthesis,Crystal Structure and Characterization of a New Tetra-nuclear Lead Complex:[Pb_4(1,2-bdc)_4(L)_2]·2.25H_2O

The title complex,[Pb4(1,2-bdc)4(L)2]·2.25H2O 1(L = 2-(2-chloro-6-fluorophen-yl)-1H-imidazo[4,5-f][1,10]phenanthroline,1,2-H2bdc = 1,2-benzenedicarboxylic acid),has been obtained by using hydrothermal synthesis and characterized by elemental analysis,IR and single-crystal X-ray diffraction.It crystallizes in monoclinic,space group P21/c with a = 12.0920(6),b = 18.9248(10),c = 15.2729(8) ,β = 98.7530(10)°,V = 3454.3(3) 3,Z = 1,C140H90Cl4F4N16O41Pb8,Mr = 4527.60,Dc = 2.176 g/cm3,F(000) = 2130,μ(MoKa) = 9.884 mm-1,R = 0.0241 and wR = 0.0582.Compound 1 exhibits a unique tetra-nuclear structure,and is further stacked by π-π interactions to give a two-dimensional supramolecular layer.The N-H···O and O-H···O hydrogen bonds stabilize the structure of 1.     

Synthesis and Structural Features of 3,5-Dihydroxy N′-(3-nitrobenzylidene) Benzohydrazide and Its Effect on the Intestinal Smooth Muscle

A new compound,3,5-dihydroxy-N-(3-nitrobenzylidene)benzohydrazide (DNBB) methanol solvate,was synthesized and characterized by single-crystal X-ray diffraction.DNBB crystallizes in a monoclinic system,space group P2 1/c with a=8.387(4),b=23.237(10),c=9.133(3),β=122.10(3)o,Z=4,V=1507.8(12) 3,D c=1.464 g/cm 3,F(000)=696.0,μ=0.116 mm-1,the final R=0.0480 and wR=0.1294.DNBB exhibited low toxicity on Caco-2 cell culture and produced significant inhibitory effect on the contraction of rat jejunal longitudinal smooth muscle (JLSM).The mechanism of DNBB on JLSM was correlated to the stimulation of α and β adrenergic receptors since α receptor antagonist phentolamine and β receptor antagonist propranolol abolished the inhibitory effects of DNBB on the contraction of JLSM,respectively.     

A New 3D Supramolecular Complex(Dimethylammonium 4,4?-([2,2?-Bipyrimidine]-5,5?-diyl)bis(2-hydroxybenzoate)Dihydrate): Synthesis,Structure =and Luminescent Property

A new 3D supramolecular complex, namely dimethylammonium 4,4?-([2,2?-bipyrimidine]-5,5?-diyl)bis(2-hydroxybenzoate) dihydrate, has been synthesized by the reaction of 4,4?-([2,2?-bipyrimidine]-5,5?-diyl)bis(2-hydroxybenzoic acid) with aqueous dimethylamine solution and characterized by single-crystal X-ray diffraction, ~1 H NMR spectroscopy and elemental analysis. It belongs to triclinic system, space group P1 with a = 6.5539(4), b = 9.4977(6), c = 12.1407(8) ?, α = 72.299(6), β = 89.160(5), γ = 70.797(8)°,V = 676.52(8) ?~3, Z = 1, Mr = 556.57, μ = 0.103 mm~(-1), Dc = 1.366 g/cm~3, F(000) = 294, the final R =0.0828 and w R = 0.2083 for 1934 observed reflections with I 2σ(I). The 4,4?-([2,2?-bipyrimidine]-5,5?-diyl)bis(2-hydroxybenzoic acid) dianion, dimethylammonium cation, and water molecule are interconnected by O-H???O, N-H???N, and N-H???O hydrogen bonds, forming a two-dimensional(2 D) layer. Two adjacent 2D layers are further stacked into a three-dimensional supramolecular structure through O-H???O hydrogen bonds. In addition, the luminescent property of this supramolecular complex has also been investigated.     

Synthesis,Crystal Structure,and Cytotoxic Property of Dibromobis{4-bromo-2-[(2-phenylaminoethylimino)methyl]phenolato}dizinc(Ⅱ)

The title phenolic oxygen bridged dinuclear Schiff base zinc(Ⅱ)complex [Zn2Br2-(C15H14BrN2O)2]was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction.The crystal belongs to the trielinic system,space group P-1 with a=9.2279(17),b=12.096(2),c=16.286(3)(A),α=75.402(3),β=87.464(3),γ=72.746(3)°,V=1679.1(5)(A)3,Z=2,Dc=1.833 g/cm3,Mr=926.94,λ(MoKα)=0.71073(A),μ=6.221 mm-1,F(000)=904,the final R=0.0601 and wR=0.1155.A total of 7453 unique reflections were collected,of which 3425 with Ⅰ＞2σ(Ⅰ)were observed.One Zn atom is six-coordinate in an octahedral geometry,and the other one is four-coordinate in atetrahedral geometry.The Zn…Zn distance is 3.106(2) (A).In the crystal structure,molecules are linked through intermolecular hydrogen bonds typed N-H…Br and C-H…Br,forming zigzag chains running along the b axis.The complex shows potent cytotoxic property to both normal and cardnoma cells.     

CRYSTAL AND MOLECULAR STRUCTURES OF BIS (CYCLOPENTADIENYL) BIS (2,4,6-TRICHLOROPHENOXY)TITANIUM, Cp_2Ti(OC_6H_2Cl_3-2,4,6)_2 (Ⅰ) AND TETRAKIS(CYCLOPENTADIENYL)BIS (4-CHLOROPHENOXY)-μ-OXO-DIZIRCONIUM,[Cp_2Zr(OC_6H_4Cl-p)]_2O (Ⅱ)

The crystal and molecular structures of (Ⅰ) and (Ⅱ) have been determined from single-crystal, X-ray diffraotion data collected by counter methods. Compound (Ⅰ) crystallizes inthe monoclinic space group C 2/c with a=19.618(11) ?, b=9.356(4) ?, c=15.985(8) ?,β=128.84 (3)°, Z=4. The molecule possesses C_2 point symmetry. Compound (Ⅱ) erystallizesin the monoclinic space group P 2_1/a with a=8.329(2) ?, b=36.509(13) ?, c=10.647(4)?, β=96.04(2)°, Z=4. The oxo-bridge links two [Cp_2Zr(OC_6H_4Cl-p)] units together withthe bond angle Zr-O-Zr of 161.1(9)°. The relatively shorter Zr-O bond lengths show the pre-sence of partial double-bond character. Both Ti and Zr atoms have d° electronic configura-tion in (Ⅰ) and (Ⅱ). The M-O bonds of the two compounds are discussed.     

Crystal Structures,Luminescent Properties and Hirshfeld Surface Analyses of Zn(Ⅱ) and Cd(Ⅱ) Compounds Based on 1-(2-Carboxyl-phenyl)-3-(pyridin-2-yl)pyrazole

Two compounds,[Zn_2(Hcppp)_2(cppp)_2(H_2O)_2]·2 NO_3·6 H_2O(1) and [Cd(Hcppp)_2Cl_2]· 3H_2O(2)(Hcppp = 1-(2-carboxyl-phenyl)-3-(pyridin-2-yl)pyrazole),are synthesized and characterized by IR,TGA and X-ray single-crystal/powder diffraction.Compound 1 crystallizes in monoclinic system,space group P2_1/c with a = 9.894(2),b = 15.856(3),c = 20.430(4) ?,β = 101.70(3)°,V = 3138.5(11) ?~3,Z = 2,M_r = 1457.94,D_c = 1.543 g/cm~3,F(000) = 1504,R = 0.0278 and wR = 0.0749 for 6157 observed reflections(I 2σ(I)).Compound 2 crystallizes in triclinic system,space group P1 with a = 9.1424(4),b = 11.6427(5),c = 16.1345(7) ?,α = 102.6430(10)°,β = 95.4530(10)°,γ = 104.0060(10)°,V = 1605.94(12) ?~3,Z = 2,M_r = 767.88,D_c = 1.588 g/cm~3,F(000) = 776,R = 0.0307 and wR = 0.0764 for 6275 observed reflections(I 2σ(I)).Compound 1 exhibits a binuclear structure while compound 2 shows a mononuclear structure.In compound 1,two cppp-ligands display the μ_2-kN,N′:k O and two Hcppp ligands show the μ_1-kN,N′ coordination modes.However,two Hcppp ligands connect one Cd(Ⅱ) cation and exhibit the μ_1-kN,N′ binding mode in compound 2.The compounds are both studied using Hirshfeld surface analyses and 2D fingerprint plots.The luminescent properties are also discussed.     

Synthesis and Crystal Structure of an Ionic Compound [Fe(CN)6(phCH2NC5H5)3]·(H2O)4

A novel ionic compound [Fe(CN)6(phCH2NC5H5)3]·(H2O)4(Mr = 794.71) has been synthesized and its structure was characterized by IR, elemental analysis and X-ray diffraction. The compound crystallizes in monoclinic, space group P21/c with a = 10.837(2), b = 16.551(3), c = 23.402(5) (A), β = 97.531(4)°V = 4161.0(15)(A)3, Z = 4, Dc = 1.269 g/cm3, F(000) = 1668, μ = 0.414 mm-1, R = 0.0479 and wR = 0.1232. The building unit of the title compound consists of three (phCH2N C5H5) ions, one [Fe(CN)6]3- anion and four water molecules. According to the structural analysis, [Fe(CN)6]3- are linked together by O-H…N and O-H…O hydrogen bonds, but [Fe(CN)6]3- and [(phCH2N C5H5)3] ions are bound by electrostatic force to form an ionic compound.Keywords: N-benzyl-pyridine, ferricyanic anion, crystal structure, supramolecular, ionic compound.     

Synthesis and Crystal Structure of Diaquabis{2,4-dibromo-6-[(2-ethylaminoethylimino)methyl]phenolato}nickel(Ⅱ) Dinitrate Diacetonitrile

The title mononuclear Schiff base nickel(Ⅱ) complex [Ni(C11H14Br2N2O)2(H2O)2]·2NO3·2C2H3N was prepared and characterized by elemental analysis, IR spectrum, and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P21/n with a = 15.534(2), b = 7.647(1), c = 16.435(2) (A), β = 103.252(2)o, V = 1900.3(4) (A)3, Z = 2, Dc = 1.750 g/cm3, Mr = 1000.99, λ(MoKα) = 0.71073 (A), μ = 4.776 mm-1, F(000) = 996, the final R = 0.0368 and wR = 0.0724. A total of 3988 unique reflections were collected, of which 2764 with I＞2σ(I) were observed. The complex consists of a mononuclear [Ni(C11H14Br2N2O)2(H2O)2]2 cation, two nitrate anions and two acetonitrile molecules. The Ni atom, lying on the inversion centre, is six- coordinated by two Schiff bases and two water molecules to assume an octahedral coordination geometry. The molecules in the crystal are linked through intermolecular hydrogen bonds of N-H…O, N-H…Br, O-H…O, O-H…N and C-H…O to form layers.