Synthesis and Crystal Structure of a Three-dimensional Manganese(Ⅱ)Complex Constructed via Covalent and Hydrogen Bonds

The assembly of 1,4-benzenedicarboxylic acid (H2bdc), 4,4?bipyridine (4,4?bipy), trimethyltin chloride and MnBr24H2O in hydrothermal conditions gave rise to a hydrogen-bonded three-dimensional complex {[Mn(4,4?bipy)4H2O](bdc)}n which has been characterized by single- crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group P2/n with a = 7.0001(2), b = 11.5540(3), c = 11.4192(1) ? = 101.754(2)? V = 904.21(4) 3, Z = 2, C18H20MnN2O8, Mr = 447.30, Dc = 1.643 g/cm3, F(000) = 462 and m(MoK? = 0.783 mm-1. The final R and wR are 0.0499 and 0.1301, respectively for 1335 observed reflections with I ≥ 2(I). The Mn (Ⅱ) is six-coordinated in a distorted octahedral geometry. 4,4?Bipyridine in a m-bridge mode links [Mn(H2O)4]2+ into a linear cation chain. bdc acts as a counter anion and links the linear chains into a three-dimensional structure through hydrogen bonds.

Syntheses and Crystal Structures of Two 3D Zinc(II) Compounds Involving Coordination and Hydrogen Bonds

Two zinc（Ⅱ） compounds, [Zn（L）（H2O）2]n 1 and [Zn（4,4＇-bpy）（H2O）4]（L） 2 （H2L = trans,trans-1,3 butadiene 1,4-dicarboxylic acid）, were synthesized by hydrothermal methods and characterized by single-crystal X-ray diffraction analyses. Compound 1 crystallizes in monoclinic, space group C2/c with a=15.4970（16）, b = 5.4976（6）, c = 10.7113（12） A, β=96.298（6）°, C6H8O6Zn, Mr = 241.50, V = 907.06（17） A^3, Z = 4, D, = 1.768 g/cm^3, F（000） = 488,μ = 2.703 mm^-1, S = 1.060, the final R = 0.0256 and wR = 0.0660 for 968 observed reflections with Ⅰ 〉 2σ（Ⅰ）. Compound 2 crystallizes in triclinic, space group P1^- with a = 6.915（2）, b = 7.166（2）, c = 10.363（3） A, α = 73.250（4）, β = 84.429（4）, γ = 61.605（3）°, C16H2ON2O8Zn, Mr = 433.70, V = 432.1 （2） A^3, Z = 1, D, = 1.667 g/cm^3, F（000） = 224 and μ= 1.471 mm^-1, S = 1.118, the final R = 0.0486 and wR = 0.1077 for 1352 observed reflections with Ⅰ〉 2σ（Ⅰ）. Upon using the assembly strategy of combination of coordination polymer chains with intermolecular hydrogen bonds, three-dimensional frameworks of complexes 1 and 2 were formed.

Synthesis and Crystal Structure of a Three-dimensional Manganese(II) Complex (tataH)_2[Mn(pydc)_2]·4H_2O (tata = 2,4,6-Triamino-1,3,5-triazine, pydcH_2 = Pyridine-2,6-dicarboxylic Acid)

A manganese（Ⅱ） complex （tataH）2[Mn（pydc）2]·4H2O （C20H28MBN14O12, 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, a = 101.5310（10）, β = 90.2610（10）, γ = 116.4600（ 10）% V = 1459.44（8）A^3, Z = 2, Dc = 1.619 g/cm^3,μ = 0.539 mm^-1, F（000） = 734, the final R = 0.0292 and wR = 0.0745. In the crystal the Mnn atom is six-coordinated by four carbonyl oxygen atoms and two pyridine nitrogen atoms from two tridentate pydc ligands to furnish a distorted octahedral geometry. The complex shows the A…D…D＇…A＇ 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.

C-H…O Hydrogen Bonds and π…π Interaction and the Crystal and Molecular Structures of 3-Nitro-benzylideneaniline-methyl-2’

The title compound (C14H12N2O2, Mr = 240.26) crystallizes in the monoclinic system, space group P21/a with a = 7.394(1), b = 21.334(3), c = 7.423(1) ? b = 89.82(1)? V = 1170.8(3) ?, Z = 4, Dc = 1.363 g/cm3, m(MoKa) = 0.93 cm-1 and F(000) = 504.00. The final R and wR are 0.0440 and 0.1370 for 2153 observed reflections (I > 2s(I)), respectively. The dihedral angle between the two phenyl rings is 52.9 and that between the NO2 group and its attached ring is 3.0. In the crystal, molecules are stacked along [100] through p…p interactions. The CH…O hydrogen bond (3.403 ? 120.4? laterally connects the stacks along [010] to form networks (001) which are further anti- parallelly connected by CH…O (3.382 ? 142.9) and p…p interactions extending along [001]. Also presented here is a brief study on the CH…O hydrogen bonds in nitro-substituted benzyl-ideneanilines which can be classified into five types, namely, )5(12R, )4(21R, )8(22R, )6(12R and )7(22R, with the first three occurring more often.

Synthesis and Crystal Structure of a 3-D Hydrogen-bonded Supramolecular Decavanadate Compound [Habo]_6[V_(10)O_(28)]·2C_3H_7OH·2H_2O

A new inorganic-organic hybrid supramolecular compound [Habo]6[V10O28]·2C3H7OH·2H2O 1 （abo = R（-）-2-amino-1-butanol） has been synthesized from VO2^＋ in organic solvents and its crystal structure was reported as follows： monoclinic, space group P21/n, a = 11.419（9）, b = 16.811（16）, c = 15.521（12） A, β= 102.98（2）°, V= 2903（4） A^3, Z = 4, C15H46N3O19V5, Mr = 827.25, Dc = 1.893 g/cm^3, 2（MoKα） = 0.71073 A, μ = 1.636 mm^-1, F（000） = 1696, the final R = 0.0696 and wR = 0.1361 for 4641 observed reflections with I 〉 2σ（I）. The compound is based on decavanadate clusters [V10O28]^6-. The hydrogen bonding interactions among Habo^＋ cations, solvents and decavanadate clusters extend 1 into a three-dimensional supramolecular architecture.

Cooperative C–H…O H-bonds in ‘Bay Area’and Crystal Structure of 1-(4-Methylphenyl)-3-(4-methoxyphenyl)-2-propene-1-one

The title compound (C17H16O2, Mr = 252.30) crystallizes in the monoclinic system, space group P21/c with a = 11.5763(14), b = 11.0321(11), c = 11.5094(13) ?, β = 114.581(3)o, V = 1336.7(3) ?3 , Z = 4, Dc = 1.254 g/cm3, μ(MoKa) = 0.081 cm-1 and F(000) = 536.00. The final R and wR are 0.0527 and 0.1285, respectively for 3058 observed reflections (I > 2σ(I)). In the title molecule, two phenyl rings are rotated oppositely with respect to the central part C(1)–C(2)=C(3)– C(4) (plane 3) and the dihedral angle between them is 14.8o. The phenone O(1) atom deviates from plane 3 by 0.291 ?. In the crystal the molecules form H-bond chains of R2 (6) and R2 (5) types 1 1 along [001]. The molecule chains interacted through three cooperative C–H…O H-bonds (R3 (11)) 1 in the ‘bay area’ (Fig. 3), extending along [010] and forming layer (100). Between the layers, there exist C–H/π interactions along [101]. Studies on the cooperative C–H…O H-bonds R3 (11) in the 1 similar crystals are also presented.

Crystal Structure Determination and Hydrogen-Bonding Patterns in 2-Pyridinecarboxamide

The title compound, 2-pyridinecarboxamide, C6H6N2O, crystallize in the monoclinic system with space group P21/n (No14), Z = 4, and unit cell parameters a = 5.2074(1) , b = 7.1004(1) , c = 16.2531(3) , = 100.260(1)o. The crystal structure of the title compound, was reported previously from Weissenberg photographic data with R = 0.127. It has now been redetermined, providing a significant increase in the precision of the derived geometric parameters. The crystal packing is governed by N--HO hydrogen bond-type intermolecular interactions, forming infinite one-dimensional chains with graph-set notation C(4), R22(8) and R24(8).

Layered Lanthanum Complex with 3-Nitrophthalic Acid Assembled via Hydrogen Bonds-Synthesis, Structure and Characterization of [LaL(HL)(H_2O)_3]_2·2H_2O (H_2L=3-NO_2C_6H_3(CO_2H)_2)

A new dinuclear centrosymmetric complex [LaL（HL）（H2O）3]2（2H2O （H2L = 3-nitrophthalic acid, NPA） was synthesized in water/ethanol solution and characterized by X-ray diffraction, IR spectrum and TGA-DTA. The complex crystallizes in triclinic system, space group P1^- with a = 8.1549（16）, b = 8.8856（18）, c = 15.277（3）A,α= 100.93（3）,α= 90.81（3）, γ= 104.56（3）°, V = 1049.8（4）A^3, Z = 1,μ= 2.125 mm^-1, Dc=1.994 g/cm^3, R = 0.0259 and wR = 0.0679. Two 3-nitrophthalates（2-） coordinate with the La3＋ ions in a bridging mode, and two monohydrogen- 3-nitrophthates（1-） and three waters in terminal ways, respectively. Each La^3＋ ion is nine-coordinated to exhibit a distorted tricapped trigonal prism coordination polyhedron. Both the coordinated and crystal waters are involved in the inter- and intramolecular hydrogen bonds. The dinuclear units are linked into a 2D network structure in the ab plane via intermolecular hydrogen bonds along the axes a and b. Two crystal waters fill each rhombic pore of the network. The networks are further packed along the c axis forming a layered supramolecular structure through the C-H…O weak forces between the adjacent sheets. TGA analysis shows the complex undergoes the loss of waters of crystallization and coordination and the decomposition of ligands sequentially.

Syntheses and Crystal Structures of Two Gd(Ⅲ) Hydrogen Supramolecules Based on p-Sulfonatothiacalix[4]arene

Two novel polymeric complexes, [Gd（HsTCAS）（H2O）7]·4H2O 1 and [Gd（HsTCAS） （CH3COCH3）（H2O）6]·6H2O 2 （H4TCAS = p-sulfonatothiacalix[4]arene）, have been synthesized and characterized by single-crystal X-ray diffraction analyses. Complex 1 crystallizes in monoclinic, space group C2/m with a = 20.2308（12）, b = 19.0894（10）, c = 12.2448（7）A, β = 101.847（3）°, V = 4628.1（5）A^3, C24H43GdO27S8, Mr = 1169.25, Z = 4, Dc = 1.690 g/cm^3, F（000） = 2380,μ = 1.879 mm^-1, the final R = 0.0404 and wR = 0.1038 for 5127 observed reflections with I 〉 2σ（I）. Complex 2 is pseudo-isostructural with complex 1.

Solvothermal Synthesis,Crystal Structure and Optical Property of Lanthanide Selenidostannate [{Tb(en)_3}_2(μ-OH)_2]Sn_2Se_6 with a 3-D H-bonded Network

An inorganic-organic hybrid lanthanide selenidostannate [{Tb（en）3}2（μ-OH）2]Sn2Se6（1） was synthesized by the solvothermal method.1 crystallizes in the monoclinic system,space group P21/n with a=10.120（2）,b=11.781（3）,c=15.403（3）,β=99.534（5）°,V=1811.1（7）3,Mr=1423.62,Z=2,Dc=2.611 g/cm3,μ=11.281 mm-1,F（000）=1312,S=1.101,the final R= 0.0400 and wR=0.0853 for 3242 observed reflections with Ⅰ 〉2σ（Ⅰ）.1 consists of a [Sn2Se6]4-and a [{Tb（en）3}2（μ-OH）2]4＋ ions.The [Sn2Se6]4-anion is constructed by two SnSe4 tetrahedra sharing a common edge.The binuclear [{Tb（en）3}2（μ-OH）2]4＋ complex is composed of two [Tb（en）3]3＋ ions joined by two μ-OH bridging ligands.The Tb3＋ ion lies in an eight-coordinated bicapped trigonal prism.In 1,the [Sn2Se6]4-and [{Tb（en）3}2（μ-OH）2]4＋ moieties are connected into a 3-D network via N-H···Se and O-H···Se H-bonds.

New Supramolecular Complex Assembled through Hydrogen Bonds. Crystal Structure of Co(PMBP-tsc)_2 ·2DMF·2H_2O

The structure of the complex [Co(PMBP-tsc)_2·2DMF·2H_2O] (PMBP-tsc =1-phenyl-3-methyl-4-benzoylpyrazol-5-one-thiosemicarbazone) has been determined by X-raycrystallography. It crystallizes in the orthorhombic system, space group Pna2_1, with latticeparameters a = 2.1170(3) nm, b = 1.2780(10) nm, c = 1.8956(2) nm, V = 4.5258(9) nm^3 and Z = 4. Thestructure shows that Co^(2+) in the complex is hexa-coordinated with a distorted octahedralcoordination sphere. The water molecules bridge the adjacent stacks through hydrogen bonds and leadto supramolecular formation with three-dimensional network structure.

Syntheses and Crystal Structures of Complexes [Cu(C_(14)H_8N_3O_4Br)](C_4H_9NO) and [Ni(C_(14)H_9N_2O_3Br)](C_4H_9NO)

The title compounds, Cu（L1）（C4H8NHO） and Ni（L2）（C4H8NHO） （H2L1 = 5-bromosalicylaldehyde-p-nitrobenzoylhydrazone, H2L2 = 5-bromosalicylaldehyde-p-hydroxybenzoylhydrazone）, have been obtained and characterized by single-crystal X-ray diffraction. Complex 1 belongs to the triclinic system, space group P1 with a = 8.6960（2）, b = 9.957（2）, c = 11.878（2）A, α = 73.36（3）, β = 78.25（3）, γ = 82.64（3）°, V = 962.1（3） A^3, Mr= 512.81, Z = 2, F（000） = 514, Dc = 1.770 g/cm^3,μ（MoKα） = 3.251, R = 0.0337 and wR = 0.0846. Complex 2 is of monoclinic, space group P21/c with a = 13.313（2）, b = 8.2096（1）, c = 21.890（3） A,β = 125.737（3）°, V = 1941.9（4） A^3, Mr= 478.97, Z = 4, F（000） = 968, Dc = 1.638 g/cm^3,μ（MoKα） = 3.085, R = 0.0356 and wR = 0.0817. The ligands form a satisfactory N2O2 square plane around the metal centers in two compounds. Different patterns of hydrogen bonds are observed owing to the presence of different substituents on aromatic ring of the acylhydrazone Schiff bases. In complex 1, square-planar copper（Ⅱ） complexes are linked by intermolecular hydrogen bonds leading to zigzag infinite chains. In complex 2, the metal complexes are linked via hydrogen bonds to form corrugated sheets in a staggered fashion; 3D channels along the b axis are constructed through other non-covalent interactions between the neighboring layers.

Investigation of Intermolecular C-H···Halogen Hydrogen Bonded Supramolecular Assemblies in Three Copper(Ⅰ) Complexes Formed by 3,3'-Dimethoxy-6,6'-dimethyl-2,2'-bipyridine Ligand

Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic Pbca,a = 18.5858（12）,b = 8.1821（5）,c = 20.6066（13） ,V = 3133.7（3） 3,Z = 8,Dc = 1.843 g/cm3,F（000） = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2：Orthorhombic Pbca,a = 18.7883（16）,b = 8.3249（7）,c = 19.0294（17） ,V = 2976.4（4） 3,Z = 8,Dc = 1.731 g/cm3,F（000） = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3：monoclinic P21/c,a = 13.812（10）,b = 9.910（7）,c = 23.444（17） ,β = 104.3350（10）°,V = 3090（4） 3,Z = 4,Dc = 1.476 g/cm3,F（000） = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2（1） and C14H16BrCuN2O2（2） are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional（3D） supramolecular network in 1 and a two-dimensional（2D） sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4（3） is ionic.In 3,the [Cu（dmbp）2]＋ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional（1D） chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.

Refinement of the Crystal Structure of Aconitine

The crystal of aconitine has been obtained through an unexpected spontaneous change of the solid power of aconitine in air and characterized by single-crystal X-ray diffraction analysis and elemental analysis. Crystallographic data： orthorhombic, space group P2_12_12_1 with a = 17.0745（6）, b = 15.5990（6）, c = 12.2443（6） ？, V = 3261.2（2） ？~3, Z = 4, C_（34）H_（47）NO_（11）, M_r = 645.73, D_c = 1.315 g/cm^3, F（000） = 1384, μ（MoKa） = 0.098 mm^（-1）, R = 0.0605 and wR = 0.1311. Aconitine is diester diterpenoid alkaloid, and its main structure is composed of four six-membered and two five-membered rings. The intramolecular and intermolecular O–H···O and C–H···O hydrogen bonds extend the adjacent molecules into a one-dimensional chain and a two-dimensional framework, which may be the essential reason for the change.

Crystal Structure of the Coordination Polymer of Sodium with Hydrazone Derivant of Acetoacetanilide

One new polymer, [Na（NPHSNPAB）（CH3OH）]n, where NPHSNPAB stands for Nphenyl-2-[2-hydroxy-3-sulfo-5-nitrophenylhydrazone]butadione-1,3, has been synthesized and characterized by ^1H NMR and FTIR spectroscopy and single-crystal X-ray diffraction. For this complex： C（17）H（17）N4NaO9S, Mr = 476.39, triclinic system, space group P1, a = 8.8741（18）, b = 10.942（2）, c = 12.039（2） A, α = 65.74（3）, β = 77.49（3）, γ = 84.30（3）o, V = 1040.3（4） A3, Z = 2, Dc = 1.521 g/cm^3, λ = 0.71073 A, F（000） = 492, S = 1.106, R = 0.0614 and w R = 0.1423 for 2945 observed reflections with I 〉 2（I）. X-ray structural analysis revealed that the structure of NPHSNPAB framework was almost planar by C–H···O, N–H···O, O–H···O, and O–H···S hydrogen bonds. Moreover, sodium（I） center was bound by six O and one N atoms, forming the coordination polymer. The molecular packing diagram showed complicated hydrogen bonds and π···π stacking interaction in the polymer. The average bond distance of the two dicyclic units（3.768 A） indicated strong π···π stacking interaction. The complex displays greenyellow emission at room temperature.

Synthesis and Crystal Structure of 3,4-Bis(azidoacetamino)furazan

Bis(azidoacetamino)furazan (DAZAF) was synthesized and characterized by elemental analysis, IR, 1H NMR and MS as an energetic compound. The crystal structure of the title compound was determined by single-crystal X-ray diffraction with the following data: C6H6N10O3, monoclinic, P21/n, Z = 4, a = 8.402(3), b = 15.146(3), c = 9.247(3) ? ?= 111.09(2)? V = 1098.0(6) 3, Mr = 266.18, Dc = 1.610 g/cm3, F(000) = 544, ?=1.34 cm-1, R = 0.037 and wR = 0.044 for 2136 observed reflections (I > 2(I)). Intra- and inter-molecular hydrogen bonds were identified between the O and H atoms of two intramolecular acetylamino groups and two intermolecular acetylamino groups, respectively.

Synthesis and Crystal Structure of Isonicotinic Acid [1-(3,5-Dibromo-2- hydroxyphenyl)methylidene]hydrazide Methanol

A new Schiff base compound, C13H9Br2N3O2CH3OH, isonicotinic acid [1-（3,5- dibromo-2-hydroxyphenyl）methylidene]hydrazide methanol, has been synthesized and characterized by elemental analysis, IR spectra, and single-crystal X-ray diffraction. The compound comprises a Schiff base moiety isonicotinic acid [1-（3,5-dibromo-2-hydroxyphenyl） methylidene]hydrazide and a methanol molecule. The crystal belongs to the triclinic system, space group P1 with a = 8.464（1）, b = 9.511（2）, c = 10.901（2）A, a = 92.940（2）, β = 110.456（2）, y = 96.040（2）°, Z= 2, V= 814.0（2）A^3, Dc = 1.759 g/cm^3, Mr = 431.09, λ（MoKa） = 0.71073A, μ = 4.994 mm^-1, F（000） = 424, R = 0.0440 and wR = 0.1061. A total of 3284 unique reflections were collected, of which 2197 with I 〉 20（I） were observed. The molecule adopts a trans configuration about the C=N double bond. The dihedral angle between the benzene and pyridine rings is 22.0（4）°. The crystal structure is stabilized by intermolecular O-H…N and C-H…O hydrogen bonds, forming layers parallel to the ac plane. The preliminary biological tests show that the compound has potential antibacterial activities.

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.

Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid

A new Cu（Ⅱ） complex [Cu（4-cba）（1,10-phen）（H2O）2]（NO3） （4-Hcba = 4-cyanobenzoic acid） has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data： C20H16CuN4O7, Mr= 487.91, triclinic, space group PI, a = 7.8420（2）, b = 9.1070（2）, c = 15.1140（6） A, a = 76.889（9）, β = 81.332（11）, γ = 74.844（ 11）°, V = 1009.89（5） A^3, Z = 2, Dc = 1.605 g/cm^3, F（000） = 498, μ = 1.134 mm^-1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with 1 〉 2σ（Ⅰ）. The Cu（Ⅱ） atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed.

Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Containing One-dimensional Egg-like Channels:{[Cu_2(C_2O_4)_2(inta)_4](inta)}_n (inta=Isonicotinamide)

A new one-dimensional copper coordination polymer chain has been prepared and fully characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The compound { [Cu2（C2O4）2（inta）4]（inta）}n 1 crystallizes in the triclinic system, space group P1, with a = 8.4722（5）, b = 10.9825（6）, c = 11.6128（6）A, α= 104.8050（10）,β = 102.5740（10）, γ= 109.6890（10）°, V= 927.18（9） A3, Mr = 929.79, Z = 1, Dc = 1.665 g/cm^3, F（000） = 475, μ = 1.231 mm^-1, R = 0.0453 and wR = 0.1185 for 3290 observed reflections （Ⅰ 〉 2σ（Ⅰ））. Of the compound, the Cu center is octahedrally coordinated with oxalate acting as a tetra-dentate ligand coordinated to the copper atom and each inta serving as a terminal ligand by employing only one N-donor to coordinate with the Cu center. An infinite {Cu2（C2O4）2}∞ chain is formed along the c axis. Furthermore, the 1D chains are held together via extensive hydrogen-bonding interactions to generate a three-dimensional network with 1D channels （ca. 5.491A×11.507A） where inta molecules are filled.