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1.
Three coordination polymers (CPs) based on the 5‐[4‐(1H‐imidazol‐1‐yl)phenyl]‐1H‐tetrazole ( HL ) ligand, namely, [Cu(μ2‐ L )(μ4‐pbda)(H2O)] ( 1 ), [Cu2(μ‐Hbtc)(H2btc)(μ3‐OH)(μ4‐ HL )] ( 2 ) and [Cu53‐ L )(μ4‐ L )(μ3‐ip)(μ3‐OH)(H2O)2] · 2H2O ( 3 ) (H2pbda = 1,4‐benzenedicarboxylic acid, H3btc = 1,3,5‐benzenetricarboxylic acid, H2ip = isophthalic acid) were hydrothermally synthesized and structurally characterized. Complex 1 represents “weave”‐type 2D layers consisting of wave‐like 1D chains and 1D straight chains, which are further connected by hydrogen bonds to form a 3D supramolecular structure. Complex 2 exhibits a uninodal (4)‐connected 2D layer with a point symbol of {44 · 62}, in which the L ligand can be described as μ5‐bridging and the H2btc ions display multiple kinds of coordination modes to connect CuII ions into 1D “H”‐type Cu‐H2btc chains. In complex 3 , 2D Cu‐ L layers with two kinds of grids and 1D “stair”‐type Cu‐ip chains link each other to construct a 3D {412 · 63} framework, which contains the pentanuclear subunits. Deprotonated degree and coordination modes of carboxylate ligands may consequentially influence the coordination patterns of main ligands and the final structures of complexes 1 – 3 . Furthermore, electrochemical behaviors and electrocatalytic activities of the title complexes were analyzed at room temperature, suggesting practical applications in areas of electrocatalytic reduction toward nitrite and hydrogen dioxide in aqueous solutions, respectively.  相似文献   

2.
In the title coordination polymer, [Cd2(SO4)2(C13H8N4)(H2O)2]n, there are two crystallographically independent CdII centres with different coordination geometries. The first CdII centre is hexacoordinated by four O atoms of four sulfate ligands, one water O atom and one N atom of a 1H‐imidazo[4,5‐f][1,10]phenanthroline (IP) ligand, giving a distorted octahedral coordination environment. The second CdII centre is heptacoordinated by four O atoms of three sulfate ligands, one water O atom and two N atoms of one chelating IP ligand, resulting in a distorted monocapped anti‐trigonal prismatic geometry. The symmetry‐independent CdII ions are bridged in an alternating fashion by sulfate ligands, forming one‐dimensional ladder‐like chains which are connected through the IP ligands to form two‐dimensional layers. These two‐dimensional layers are linked by interlayer hydrogen bonds, leading to the formation of a three‐dimensional supramolecular network.  相似文献   

3.
Crystallization of the title compound, C8H8N4O2, results in the formation of one‐dimensional chains of imidazole (im) mol­ecules linked together by strong hydrogen bonds. The O⋯N(im) separation and O—H(⋯N) distance are 2.6906 (17) and 1.74 (2) Å, respectively, and the O—H⋯N angle is 173 (2)°. The one‐dimensional chains are weakly π stacked along the b axis, with centroid‐to‐centroid separations of 3.678 (2) Å between five‐ and six‐membered rings and 3.963 (2) Å between six‐membered rings. Each mol­ecule is arranged around an inversion center.  相似文献   

4.
The title compound, {(C7H15N2Cl)2[Cd3Cl10]·4H2O}n, consists of 1‐chloromethyl‐1,4‐diazoniabicyclo[2.2.2]octane dications, one‐dimensional inorganic chains of {[Cd3Cl10]4−} anions and uncoordinated water molecules. Each of the two independent CdII ions, one with site symmetry 2/m and the other with site symmetry m, is octahedrally coordinated by chloride ions (two with site symmetry m and one with site symmetry 2), giving rise to novel polymeric zigzag chains of corner‐sharing Cd‐centred octahedra parallel to the c axis. The organic cations, bisected by mirror planes that contain the two N atoms, three methylene C atoms and the Cl atom, are ordered. Hydrogen bonds (O—H...Cl and O—H...O) between the water molecules (both with O atoms in a mirror plane) and the chloride anions of neighbouring chloridocadmate chains form a three‐dimensional supramolecular network.  相似文献   

5.
The title compound, {(C6H14N2O2)[Cu2Cl6(H2O)]}n, consists of 1,4‐dihydroxy‐1,4‐diazoniabicyclo[2.2.2]octane dications and one‐dimensional inorganic anionic {[Cu2Cl6(H2O)]2−}n chains in which both five‐coordinate [CuCl3(H2O)] and five‐coordinate [CuCl3] units exist. These two distinct type of unit are linked together by one chloride ion and are bridged across centres of inversion to further units of their own type through two chloride ions, giving rise to novel polymeric zigzag chains parallel to the c axis. The chains are connected by O—H...Cl hydrogen bonds to produce R24(16) ring motifs, resulting in two‐dimensional layers parallel to the ac plane. These layers are linked into a three‐dimensional framework with the organic cations via O—H...Cl hydrogen bonds. Hydrogen bonding between the chains, and between the chains and the organic cations, provides stability to the crystal structure.  相似文献   

6.
The solvothermal reaction of Zn(OAc)2·2H2O with 3,3′‐(diazenediyl)dibenzoic acid (H2ADB) in H2O at 393 K afforded the title complex, [Zn(C14H8N2O4)(H2O)]n. The asymmetric unit contains half a ZnII cation, half an ADB ligand and half a water molecule. Each ZnII centre lies on a crystallographic twofold rotation axis and is five‐coordinated by four O atoms of bridging carboxylate groups from four ADB ligands and one O atom from a water molecule, forming a distorted trigonal–bipyramidal coordination geometry. The [Zn(H2O)] subunits are bridged by carboxylate groups to give one‐dimensional [Zn(μ‐COO)4(H2O)]n chains. The chains are linked by ADB ligands into two‐dimensional sheets, and these sheets are further connected to neighbouring sheets via hydrogen bonds (OW—HW...O), forming a three‐dimensional hydrogen‐bond‐stabilized structure with an unprecedented 374175262 topology.  相似文献   

7.
The crystal structure of the title compound, {(C3H12N2)[Mo3O10]·2H2O}n, is composed of [Mo3O10]2− anionic chains, propane‐1,3‐diammonium cations and solvent water molecules. The [Mo3O10]2− chain is constructed from edge‐sharing MoO6 octahedra. The protonated propane‐1,3‐diamine cations and solvent water molecules are located between the chains and are linked to the O atoms of the inorganic chains by hydrogen bonds.  相似文献   

8.
The title complex, {[Ni(C15H11N4O2S)2(C10H8N2)(H2O)2]·H2O}n, was synthesized by the reaction of nickel chloride, 4‐{[(1‐phenyl‐1H‐tetrazol‐5‐yl)sulfanyl]methyl}benzoic acid (HL) and 4,4′‐bipyridine (bpy) under hydrothermal conditions. The asymmetric unit contains two half NiII ions, each located on an inversion centre, two L ligands, one bpy ligand, two coordinated water molecules and one unligated water molecule. Each NiII centre is six‐coordinated by two monodentate carboxylate O atoms from two different L ligands, two pyridine N atoms from two different bpy ligands and two terminal water molecules, displaying a nearly ideal octahedral geometry. The NiII ions are bridged by 4,4′‐bipyridine ligands to afford a linear array, with an Ni...Ni separation of 11.361 (1) Å, which is further decorated by two monodentate L ligands trans to each other, resulting in a one‐dimensional fishbone‐like chain structure. These one‐dimensional fishbone‐like chains are further linked by O—H...O, O—H...N and C—H...O hydrogen bonds and π–π stacking interactions to form a three‐dimensional supramolecular architecture. The thermal stability of the title complex was investigated via thermogravimetric analysis.  相似文献   

9.
The mixed organic–inorganic title salt, C7H18N2O2+·C2HO4·Cl, forms an assembly of ionic components which are stabilized through a series of hydrogen bonds and charge‐assisted intermolecular interactions. The title assembly crystallizes in the monoclinic C2/c space group with Z = 8. The asymmetric unit consists of a 4‐(3‐azaniumylpropyl)morpholin‐4‐ium dication, a hydrogen oxalate counter‐anion and an inorganic chloride counter‐anion. The organic cations and anions are connected through a network of N—H...O, O—H...O and C—H...O hydrogen bonds, forming several intermolecular rings that can be described by the graph‐set notations R33(13), R21(5), R12(5), R21(6), R23(6), R22(8) and R33(9). The 4‐(3‐azaniumylpropyl)morpholin‐4‐ium dications are interconnected through N—H...O hydrogen bonds, forming C(9) chains that run diagonally along the ab face. Furthermore, the hydrogen oxalate anions are interconnected via O—H...O hydrogen bonds, forming head‐to‐tail C(5) chains along the crystallographic b axis. The two types of chains are linked through additional N—H...O and O—H...O hydrogen bonds, and the hydrogen oxalate chains are sandwiched by the 4‐(3‐azaniumylpropyl)morpholin‐4‐ium chains, forming organic layers that are separated by the chloride anions. Finally, the layered three‐dimensional structure is stabilized via intermolecular N—H...Cl and C—H...Cl interactions.  相似文献   

10.
In the title compound, [Mn(C8H7O2)2(C12H9N3)], the manganese(II) centre is surrounded by three bidentate chelating ligands, namely, one 2‐(2‐pyridyl)benzimidazole ligand [Mn—N = 2.1954 (13) and 2.2595 (14) Å] and two p‐toluate ligands [Mn—O = 2.1559 (13)–2.2748 (14) Å]. It displays a severely distorted octahedral geometry, with cis angles ranging from 58.87 (4) to 106.49 (5)°. Intermolecular C—H...O hydrogen bonds between the p‐toluate ligands link the molecules into infinite chains, and every two neighbouring chains are further coupled by N—H...O and C—H...O hydrogen bonds between the 2‐(2‐pyridyl)benzimidazole and p‐toluate ligands, leading to an infinite ribbon‐like double‐chain packing mode. The complete solid‐state structure can be described as a three‐dimensional supramolecular framework, stabilized by these intermolecular hydrogen‐bonding interactions and possible C—H...π interactions, as well as stacking interactions involving the 2‐(2‐pyridyl)benzimidazole ligands.  相似文献   

11.
In the title compound, [Mn(C5H2N2O4)(C12H9N3)2]·H2O, the MnII centre is surrounded by three bidentate chelating ligands, namely, one 6‐oxido‐2‐oxo‐1,2‐dihydropyrimidine‐5‐carboxylate (or uracil‐5‐carboxylate, Huca2−) ligand [Mn—O = 2.136 (2) and 2.156 (3) Å] and two 2‐(2‐pyridyl)‐1H‐benzimidazole (Hpybim) ligands [Mn—N = 2.213 (3)–2.331 (3) Å], and it displays a severely distorted octahedral geometry, with cis angles ranging from 73.05 (10) to 105.77 (10)°. Intermolecular N—H...O hydrogen bonds both between the Hpybim and the Huca2− ligands and between the Huca2− ligands link the molecules into infinite chains. The lattice water molecule acts as a hydrogen‐bond donor to form double O...H—O—H...O hydrogen bonds with the Huca2− O atoms, crosslinking the chains to afford an infinite two‐dimensional sheet; a third hydrogen bond (N—H...O) formed by the water molecule as a hydrogen‐bond acceptor and a Hpybim N atom further links these sheets to yield a three‐dimensional supramolecular framework. Possible partial π–π stacking interactions involving the Hpybim rings are also observed in the crystal structure.  相似文献   

12.
The title salt, C16H21NOPS+·C12H10OPS, was synthesized from the reaction between 3‐(methylamino)propan‐1‐ol and PPh2(S)Cl in the presence of Et3N. Its structure has been identified using spectroscopic methods and X‐ray analysis. Single crystals were obtained from ethanol by slow evaporation. In the asymmetric unit, a cation–anion pair is formed through an intermolecular N—H...O [N...O = 2.6974 (18) Å] hydrogen bond. The molecules are packed through N—H...O and N—H...S hydrogen bonds in the crystal and these hydrogen bonds are responsible for the high melting point. The P atoms of the anion and cation both have distorted tetrahedral environments.  相似文献   

13.
In the title monohydrated cocrystal, namely 1,3‐diamino‐5‐azaniumyl‐1,3,5‐trideoxy‐cis‐inositol iodide–1,3,5‐triamino‐1,3,5‐trideoxy‐cis‐inositol–water (1/1/1), C6H16N3O3+·I·C6H15N3O3·H2O, the neutral 1,3,5‐triamino‐1,3,5‐trideoxy‐cis‐inositol (taci) molecule and the monoprotonated 1,3‐diamino‐5‐azaniumyl‐1,3,5‐trideoxy‐cis‐inositol cation (Htaci+) both adopt a chair conformation, with the three O atoms in axial and the three N atoms in equatorial positions. The cation, but not the neutral taci unit, exhibits intramolecular O—H...O hydrogen bonding. The entire structure is stabilized by a complex three‐dimensional network of intermolecular hydrogen bonds. The neutral taci entities and the Htaci+ cations are each aligned into chains along [001]. In these chains, two O—H...N interactions generate a ten‐membered ring as the predominant structural motif. The rings consist of vicinal 2‐amino‐1‐hydroxyethylene units of neighbouring molecules, which are paired via centres of inversion. The chains are interconnected into undulating layers parallel to the ac plane, and the layers are further held together by O—H...N hydrogen bonds and additional interactions with the iodide counter‐anions and solvent water molecules.  相似文献   

14.
The crystal structures and packing features of two homologous Meyer's bicyclic lactams with fused pyrrolidone and medium‐sized perhydropyrimidine rings, namely, 8a‐phenyl‐2,3,4,7,8,8a‐hexahydropyrrolo[1,2‐a]pyrimidin‐6(1H)‐one, C13H16N2O ( 1 ), and 8a‐(4‐methylphenyl)‐2,3,4,7,8,8a‐hexahydropyrrolo[1,2‐a]pyrimidin‐6(1H)‐one, C14H18N2O ( 2 ), were elucidated, and Hirshfeld surface plots were calculated and drawn for visualization and a deeper analysis of the intermolecular noncovalent interactions. Molecules of 1 and 2 are weakly linked by intermolecular C=O…H—N hydrogen bonds into chains, which are in turn weakly linked by other C=O…H—Car interactions. The steric volume of the substituent significantly affects the crystal packing pattern.  相似文献   

15.
Colourless block‐shaped crystals of [(NH4)2(2.2.2‐cryptand)2][P2S8] ( 1 ) and [(NH4)2(18‐crown‐6)2][P2S8]·H2O ( 2 ) could be obtained by the reaction of an aqueous solution of ammonium hexathiohypodiphosphate, (NH4)4P2S6·2 H2O, with sulfur and 2.2.2‐cryptand or 18‐crown‐6. The crystal structures of both compounds have been determined by single‐crystal X‐Ray diffraction analysis. Compound 1 crystallizes in the monoclinic space group C2/c with a = 2032.7(2), b = 1243.6(2), c = 2244.6(2) pm, β = 98.64(1)°, and Z = 8, whereas compound 2 crystallizes also monoclinic in the space group P21/c with a = 2121.3(2), b = 865.5(1), c = 2345.4(2) pm, β = 91.96(1)°, and Z = 4. It could be established that the title compounds contain a new type of six‐membered [1,2‐P2S4] ring with P – P bond and three S – S linkages. The tetrahedral environment of each phosphorus is completed by a (formally) single and double bonded sulfur atom attached externally to the [1,2‐P2S4] ring. These terminal PS2 units are mesomerically stabilized according to their P – S distances. FT‐IR and FT‐Raman spectra of the title compounds are recorded and interpreted.  相似文献   

16.
In the title compound, C17H21NO3S, the S atom is in a distorted tetrahedral geometry and the N atom exhibits sp2 character. The antiperiplanar conformation is observed for the N and hydroxyl‐O atoms and the torsion angle around the N—C linkage is ?136.3 (2)°. The mol­ecules are linked by O—H?O intermolecular hydrogen bonds to form an infinite one‐dimensional chains along the c axis.  相似文献   

17.
In the molecule of the title compound, C17H20N4O5, there are two intramolecular N—H...O hydrogen bonds having amidic and nitro‐group O atoms as the acceptors and together forming a three‐centre N—H...(O)2 system. These interactions appear to play an important role in controlling the relative orientation of the pyrazole and aryl rings. The bond distances provide evidence for some polarization of the electronic structure. Molecules are linked into simple chains by a single C—H...O hydrogen bond.  相似文献   

18.
The title compound, C25H35N3O2, is a novel urea derivative. Pairs of intermolecular N—H...O hydrogen bonds join the molecules into centrosymmetric R22(12) and R22(18) dimeric rings, which are alternately linked into one‐dimensional polymeric chains along the [010] direction. The parallel chains are connected via C—H...O hydrogen bonds to generate a two‐dimensional framework structure parallel to the (001) plane. The title compound was also modelled by solid‐state density functional theory (DFT) calculations. A comparison of the molecular conformation and hydrogen‐bond geometry obtained from the X‐ray structure analysis and the theoretical study clearly indicates that the DFT calculation agrees closely with the X‐ray structure.  相似文献   

19.
The asymmetric unit in the structure of the title compound, [K2(C9H4O9S)(H2O)2]n, consists of two eight‐coordinated KI cations, one 2,4‐dicarboxy‐5‐sulfonatobenzoate dianion (H2SBTC2−), one bridging water molecule and one terminal coordinated water molecule. One KI cation is coordinated by three carboxylate O atoms and three sulfonate O atoms from four H2SBTC2− ligands and by two bridging water molecules. The second KI cation is coordinated by four sulfonate O atoms and three carboxylate O atoms from five H2SBTC2− ligands and by one terminal coordinated water molecule. The KI cations are linked by sulfonate groups to give a one‐dimensional inorganic chain with cage‐like K4(SO3)2 repeat units. These one‐dimensional chains are bridged by one of the carboxylic acid groups of the H2SBTC2− ligand to form a two‐dimensional layer, and these layers are further linked by the remaining carboxylate groups and the benzene rings of the H2SBTC2− ligands to generate a three‐dimensional framework. The compound displays a photoluminescent emission at 460 nm upon excitation at 358 nm. In addition, the thermal stability of the title compound has been studied.  相似文献   

20.
The asymmetric unit of the title compound, [Cd(C8H4O4)(C17H8ClN5)(H2O)]n, contains one CdII atom, two half benzene‐1,4‐dicarboxylate (1,4‐bdc) anions, one 11‐chloropyrido[2′,3′:2,3]pyrimidino[5,6‐f][1,10]phenanthroline (L) ligand and one coordination water molecule. The 1,4‐bdc ligands are on inversion centers at the centroids of the arene rings. The CdII atom is six‐coordinated by two N atoms from one L ligand, three carboxylate O atoms from two different 1,4‐bdc ligands and one water O atom in a distorted octahedral coordination sphere. Each CdII center is bridged by the 1,4‐bdc dianions to give a one‐dimensional chain. π–π stacking interactions between L ligands of neighboring chains extend adjacent chains into a two‐dimensional supramolecular (6,3) network. Neighboring (6,3) networks are interpenetrated in an unusual inclined mode, resulting in a three‐dimensional framework. Additionally, the water–carboxylate O—H...O hydrogen bonds observed in the network consolidate the interpenetrating nets.  相似文献   

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