1，4二环己基取代六元瓜环与Na(Ⅰ)自组装实体的合成与晶体结构

A novel complex of a new 1,4-dicyclohexyl cucurbituril(DCYQ[6]) with sodium(Ⅰ) ion was synthesized, and the crystal structure was determined by X-ray diffraction technique. In this self-assembled entity both the cavity interaction of DCYQ[6] included a nitrate anion and the portal interaction of the dipole carbonyls of DCYQ[6] with sodium cations lead to form self assembled molecular capsules. The crystal structure of the entity shows a packing of the self assembled molecular capsules connected by hydrogen bonds of water molecules. CCDC: 271400.     

Synthesis of R-(-)-2-Ethyl-N-benzyl (monoaza-15-crown-5) and the Crystal Structure of Its Sodium Perchlorate Complex

A new complex of a chiral monoaza-crown ether, [R-(-)-2-ethyl-N-benzyl-4,7,10,13-tetraoxa-1-azacyclopentadeceane) NaClO₄], has been prepared and studied by x-ray diffraction. The compound crystallizes in space group P2₁ with cell dimensions a = 9.480(1), b = 15.978(2), c = 15.816(2) Å, = 105.51(1)°, Z = 4. The final R value is 0.055 for 2711 observed reflections and 540 parameters. There are twomolecules in the asymmetric unit labelled A and B. The sodium ion is hexacoordinated. The average values for the Na–-O_eth (etheric) distances are 2.364(6), 2.317(7) Å and the Na–N distances are 2.679(6), 2.611(7) Å; the Na–-O(ClO₄) contacts are2.497(7) and 2.257(10) Å, for A and B, respectively.     

Synthesis of R-(-)-2-ethyl-N-benzyl (benzo-monoaza-15-crown-5) and the Crystal Structure of Its Sodium Perchlorate Complex

A new complex of a chiral monoaza-crown ether, [R-(-)-2-ethyl-N-benzyl-4,7,10,13-tetraoxa-8,9-benzo-1-azacyclopentadec-8-ene...NaClO₄], has been prepared and studied by x-ray diffraction. The compound crystallizes in space group P2₁ with cell dimensions a = 8.721(1), b = 16.318(2), c = 8.905(1) Å, = 100.80(1)°. The sodium cation is heptacoordinated and located significantly out of the best plane of the macrocycle ring. The donor atoms of the macrocycle are in the half-chair arrangement.     

Crystal Structure of Di[bis(diphenylphosphino)propane]Copper(Ⅰ) Perchlorate Complex

1INTRODUCT1oNIthasbeenwellknownthatthereactionofcopper(E)saltswithditertiaryphosphinesorarsinesisoftenaconvenientroutetocopper(I)analogues.8-dimethylarsinoquinolinee,3-methylthiopropyldimethylarsineand(o-diphenylarsi-nophenyl)diphenylphosphinesulphideallonlyyieldcopper(I)complexesofthiskindofligandsfromreactioninvolvingcopper(I)salts.Insimilarmanner,copper(I)nitratecomplexesofstoichiometryCu(dppm)(NO,),Cu2(dppe)3(NO,)2,Cu-(dppe),(NO,),andCu(dppe)(NO,)havebeenprepared.ltappearsthatthe…     

Crystal Structure of (2.2.2-Cryptand)lithium Perchlorate

(2.2.2-Cryptand)lithium perchlorate [Li(2.2.2-Crypt)]⁺ClO^– ₄ (I) is prepared and characterized by X-ray structural analysis. Structure I (space group P2₁2₁2, a = 10.149 Å, b = 13.475 Å, c = 8.580 Å, Z = 2) is solved by the direct method and refined anisotropically by the full-matrix least-squares method to R = 0.056 for 2312 reflections (CAD4 automated diffractometer, MoK ). Crystal of complex I is built of [Li(2.2.2-Crypt)]⁺ complex cations of the host–guest type and randomly disordered ClO^– ₄ anions. Both ions are located on the twofold crystallographic axes. The Li⁺ cation, which is also randomly disordered about the 2 axis, is coordinated by the N atom and five O atoms from eight heteroatoms (2N + 6O) of the cryptand. Two Li–O and one Li–N bonds are noticeably elongated. The Li⁺ cation forms irregular six-vertex coordination polyhedron.     

Hydrothermal Synthesis and Crystal Structure of a New Nickel（II） Complex with 3,4-Pyridinedicarboxylic Acid and 1,4-Bis（imidazol-l-ylmethyl）-benzene Ligands

A metal-organic coordination polymer [Ni(PDB)(bix)(H2O)]n(H2PDB=3,4-pyri-dinedicarboxylic acid, bix=1,4-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. Blue crystals crystallize in the triclinic system, space group P1 with a=9.1849(8), b=9.2065(9), c=12.9308(12) , α=103.3070(10), β=104.7160(10), γ=90.5900(10)o, V=1026.42(16)3 , C21H19N5NiO5 , Mr=480.12, Dc=1.553 g/cm3 , F(000)=496, Z=2, μ(MoKα)=0.991 mm1 , the final R=0.0325 and wR=0.0799 for 3561 observed reflections (I>2 (I)). The structure of 1 exhibits a two-dimensional network structure.     

Crystal Structure of N,N'-Bis(dodecyl)diaza- 18-crown-6 Complexed Sodium Perchlorate

The crystal structure of a new complex of a diaza-crown ether having two side arms has been determined from X-ray diffraction data. The compound crystallizes in space group P1 with cell dimensions a = 9.982(1), b = 10.685(1), c = 20.376(2)Å, = 81.09(1), = 80.92(1), = 88.43(1)0, Z = 2. The structure has been solved by direct methods and refined to the final R value of 0.053 for 3458 observed reflections and 424 parameters. The diaza-18-crown-6 ligand adopts an approximate D3d conformation. The Na+ ion is held inside the molecular cavity of this macroring ligand and a ClO-4 oxygen coordinates with Na+. The average Na–-O (18-crown-6) and Na–-N bond lengths are 2.426(4) and 2.786(5)Å, respectively; the Na–-O (ClO-4) bond length is 2.472(4)Å. The mean cavity radius is 1.10 Å and the NN nonbonding distance is 4.605(6)Å.     

对称四甲基六元瓜环与银(Ⅰ)配合物的合成与晶体结构

Crystals of a new 1,4-dimethyl cucurbituril(TMeQ[6]) with Silver(Ⅰ) ion were synthesized, and the structure was determined by X-ray diffraction technique. There are two kinds of TMeQ[6] A and B which formed molecular encapsulates with two silver ion lids in the self-assembled entities. One dimensional supramolecular tubes are formed from the encapsulates A, and two dimensional molecular sieves are formed from the encapsulates B, the tubes and the sieves stack together alternately in the self-assembled entities. CCDC: 271401.     

Synthesis and Crystal Structure of a Dinuclear Cobalt(II) Complex [Co2(1H-benzimidazole)4(1,4-bdoa)2]

1 INTRODUCTION In the last decades, metal carboxylate complexes have become a particularly important subject in mo- dern coordination chemistry owing to their fascina- ting structural diversity and potential applications as functional materials[1～3]. The generation of supramo- lecular architectures relies on the combination of se- veral factors, such as the coordination geometry of metals, bonding of the ligands and reaction condi- tions[4, 5]. In relation to the ligands, the judicious c…     

Isotactic cis-1,4-poly(3-methyl-1,3-pentadiene): a new conformation for isotactic cis-1,4-polydienes

Oriented specimens of isotactic cis-1,4-poly(3-methyl-1,3-pentadiene) exhibit two crystalline modifications characterized, respectively, by the expected two-fold helical conformation with a fiber repeat of 8,02 Å and by a three-fold helix with c = 9,97 Å. The latter highly contracted structure is prevalent in fibers and is the only one observed in unoriented bulk specimens. Consistent with these findings conformational calculations indicate that the three-fold helix is substantially more stable than the two-fold one.     

Crystal Structure of 4-Trimethyltin-quinuclidinium Perchlorate

The crystal structure of 4-trimethyltin-quinuclidinium perchlorate has been determined by direct methods and refined by least squares techniques. Crystals of C₁₀H₂₂ClNO₄Sn are monoclinic, space group I2/c with lattice parameters a = 29.445 (13), b = 18.400(8), c = 11.300(5) Å, β = 95.82(5)°, V = 6090.65ų, and two independent molecules (Z = 16), Interatomic distances are compared with those of known structures of quinuclidinium chloride and 4-haloquinuclidinium chlorides and perchlorates.     

高氯酸二吡啶·双(N-氯化吡啶-2-甲醛)缩-1,3-丙二胺合镍的晶体结构

合成了Ni(Ⅱ)的吡啶和双(N-氧化呲啶-2-甲醛)缩-1,3-丙二胺的配合物。对它进行了红外、紫外、电导和磁化率的表征。测定了其晶体结构。定性解释了红外特征吸收峰D_(N-O)和V_(C=N)波数移动与分子几何构型之间的关系。利用紫外吸收峰近似计算了配体场分裂参数Dq和Racah参数B。     

Ammonium (18-Crown-6)(Triphenylphosphine Oxide) Perchlorate: Synthesis and Crystal Structure

A new compound, ammonium (18-crown-6)(triphenylphosphine oxide) perchlorate (I), is synthesized, and its crystal structure is studied using X-ray diffraction analysis (space group R3m, a = 14.432 Å, c = 14.034 Å, Z = 3, direct method, full-matrix least-squares method in the anisotropic approximation, R = 0.064 for 1945 independent reflections, CAD4 automated diffractometer, λMoKα radiation). In the structure, the NH ₄ ⁺ cation resides in the 18-crown-6 macrocycle cavity and is hydrogen-bonded with three symmetrically equivalent O atoms of the 18-crown-6 molecule and with the phosphoryl O atom of the Ph₃PO molecule. The P=O H-N and Cl atoms occupy the partial position 3m. The oxygen atoms of the ClO ₄ ^? anion are disordered over the 3m position.     

Synthesis and Crystal Structure of1,4-Bis（1H-1,2,4-triazol-1-methyl）benzene

1 INTRODUCTION 1,2,4-Triazole derivatives are used as ingradients in several antiallergic, antivirial, antibacterial drugs, etc.[1～4]. 1,2,4-Triazole and its derivatives are also very interesting ligands because they combine the coordination geometry of…     

Crystal Structure,Thermal Analysis and Spectroscopic Study of Sodium 3,4-Diaminobenzoate

The structure and infrared spectrum of sodium 3,4-diaminobenzoate have been studied. The sodium salt crystallizes in the orthorhombic system, space group Pcab with a = 6.1940(10), b = 14.285(3), c = 21.348(4) Å, and Z = 8. The compound is polymeric in which Na ions are coordinated to six oxygen atoms, with Na-O distances ranging from 2.3380(14)-2.5856(18) Å. The compound dehydrates at 340 K and is decomposed at 485 K. IR spectra of the salt are discussed.