首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 31 毫秒
1.
The structure of the title compound, (C6H7N2O)6[V10O28]·2H2O, at 120 (2) K has monoclinic (C2/c) symmetry. The asymmetric unit consists of one half‐decavanadate anion of Ci symmetry, three cations and one water molecule. Each water molecule is hydrogen bonded to two decavanadate anions, thus forming a one‐dimensional chain of anions. The three‐dimensional supramolecular structure is formed by a network of N—H...O, O—H...O and C—H...O hydrogen bonds, in which the cations, anions and water molecules are involved, and by nonparallel‐displaced π‐stacking interactions between pyridine rings. As a result of hydrogen bonding, the carboxamide groups of the cations are somewhat twisted from the pyridine ring plane.  相似文献   

2.
The title organic–inorganic hybrid compound, [Co(C10H8N2O2)2(H2O)2]2[Mo8O26]·2H2O, consists of [Co(bpdo)2(H2O)2]2+ (bpdo is 2,2‐bipyridine N,N′‐dioxide) and ξ‐[Mo8O26]4− groups in a 2:1 ratio, plus two water solvent molecules. The independent Co atom in the cation is coordinated by four O atoms from two bpdo ligands and two water molecules, in a distorted octahedral geometry. The counter‐anions, built up around a symmetry center, are linked by solvent water molecules through O—H...O hydrogen bonds to generate two‐dimensional layers, which are in turn linked by coordinated water molecules from the cationic units through further O—H...O hydrogen bonds, forming a three‐dimensional supramolecular structure.  相似文献   

3.
The title compound, [Co(C10H8N2)3]2[V4O12]·11H2O, is composed of two symmetry‐related cations containing octahedrally coordinated CoII ions, a centrosymmetric [V4O12]4− anion with an eight‐membered ring structure made up of four VO4 tetrahedra, and 11 solvent water molecules. The CoII cations and vanadate anions are isolated and build cation and anion layers, respectively. In addition, the title compound exhibits a three‐dimensional network through intra‐ and intermolecular hydrogen‐bond interactions between water molecules and O atoms of the anions, and the crystal structure is stabilized mainly by hydrogen bonds.  相似文献   

4.
The crystal structures of dimagnesium disodium decavanadate icosahydrate, Mg2Na2V10O28·20H2O, (I), and trimagnesium decavanadate octacosahydrate, Mg3V10O28·28H2O, (II), have been determined by single‐crystal X‐ray diffraction. They crystallize with monoclinic (C2/c) and triclinic () symmetry, respectively. All the Mg2+ cations in (I) and (II) are octahedrally coordinated by six water mol­ecules. The Na+ cations in (I) are coordinated by three water mol­ecules and three O atoms of the decavanadate anions, and link the latter into a three‐dimensional network. The decavanadate anions in (II) are not linked to one another.  相似文献   

5.
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   

6.
The title compound, [Mn(C12H8N2)2(H2O)2](C4H4O4S)·[Mn(C4H4O4S)(C12H8N2)2]·13H2O, contains one dianion of thio­diglycolic acid (tdga2−) and two independent man­ganese(II) moieties, viz. [Mn(phen)2(H2O)2]2+ and [Mn(tdga)(phen)2], where phen is 1,10‐phenanthroline. The MnII atoms are octahedrally coordinated by four N atoms of two bidentate phen ligands [Mn—N = 2.240 (2)–2.3222 (19) Å] and either two water O atoms or two tdga carboxyl O atoms [Mn—O = 2.1214 (17)–2.1512 (17) Å]. The tdga ligand chelates as an O,O′‐bidentate ligand, forming an eight‐membered ring with one Mn atom. The free tdga2− dianion is hydrogen bonded to an [Mn(phen)2(H2O)2]2+ ion, with O⋯O distances of 2.606 (2) and 2.649 (2) Å. The crystal structure is further stabilized by an extensive network of hydrogen bonds involving 13 water mol­ecules.  相似文献   

7.
In the title two‐dimensional coordination polymer, [Mn(1,4‐BDOA)(4,4‐bipy)(H2O)2]n [1,4‐BDOA2− is the p‐phenyl­ene­dioxy­di­acetate dianion (C10H8O6) and 4,4‐bipy is 4,4‐bi­pyridine (C10H8N2)], each MnII atom displays octahedral coordination by two O atoms of the 1,4‐BDOA2− groups, two N atoms of the 4,4‐bipy ligands and two solvent water mol­ecules. The MnII atom, 4,4‐bipy ligand and 1,4‐BDOA2− group occupy different inversion centres. Adjacent MnII atoms are bridged by 1,4‐BDOA2− groups and 4,4‐bipy ligands, forming a two‐dimensional network with Mn⋯Mn separations of 11.592 (2) and 11.699 (2) Å. Hydro­gen bonds from a water O—H group link the layers in the third dimension.  相似文献   

8.
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   

9.
The crystal structure of the title compound, {[Tm(C8H3O7S)(H2O)5]·1.5C10H8N2·0.5H2O}n, is built up from two [Tm(SIP)(H2O)5] molecules (SIP3− is 5‐sulfonatobenzene‐1,3‐dicarboxylate), three 4,4′‐bipyridyl (bpy) molecules and one solvent water molecule. One of the bpy molecules and the solvent water molecule are located on an inversion centre and a twofold rotation axis, respectively. The TmIII ion coordination is composed of four carboxylate O atoms from two trianionic SIP3− ligands and five coordinated water molecules. The Tm3+ ions are linked by the SIP3− ligands to form a one‐dimensional zigzag chain propagating along the c axis. The chains are linked by interchain O—H...O hydrogen bonds to generate a two‐dimensional layered structure. The bpy molecules are not involved in coordination but are linked by O—H...N hydrogen bonds to form two‐dimensional layers. The two‐dimensional layers are further bridged by the bpy molecules as pillars and the solvent water molecules through hydrogen bonds, giving a three‐dimensional supramolecular structure. π–π stacking interactions between the parallel aromatic rings, arranged in an offset fashion with a face‐to‐face distance of 3.566 (1) Å, are observed in the crystal packing.  相似文献   

10.
The CuII ion in the title complex, [Cu(C5H10NO3)2] or [Cu(He‐ala)2] [He‐ala = N‐(2‐hydroxy­ethyl)‐β‐alaninate], resides at the inversion centre of a square bipyramid comprised of two facially arranged tridentate He‐ala ligands. Each He‐ala ligand binds to a CuII ion by forming one six‐membered β‐alaninate chelate ring in a twist conformation and one five‐membered ethanol­amine ring in an envelope conformation, with Cu—N = 2.017 (2) Å, Cu—OCOO = 1.968 (1) Å and Cu—OOH = 2.473 (2) Å. The [Cu(He‐ala)2] mol­ecules are involved in a network of O—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to the (10) plane. The layers are connected into a three‐dimensional structure by van der Waals inter­actions, so that the mol­ecular centres form pseudo‐face‐centered close packing.  相似文献   

11.
For charge balance in the title compound, (H5O2)(C3H7N6)3[Mn(C7H3NO4)2]2(OH)·C7H5NO4·5H2O, it is assumed that the metal atom site is disordered MnII/MnIII, probably due to partial air oxidation of the starting MnII species. The formula unit of the complex contains a hydroxonium hydrate cation, H5O2+, also known as the Zundel cation, with twofold symmetry. The O...O [2.445 (10) Å] and O...H distances [1.24 (2) Å] in the H5O2+ cation indicate a strong hydrogen bond. In addition, there is a hydroxide ion that is disordered with respect to a twofold rotation axis. One of the melaminium groups and the pyridine‐2,6‐dicarboxylate (pydc) ligand also reside on crystallographic twofold axes. The coordination environment of the Mn ion is distorted octahedral. Three intermolecular C=O...π interactions are observed, with distances of 3.536 (4), 3.262 (4) and 3.750 (4) Å between carboxylate C=O groups and the centroids of the aromatic rings of pydc and melaminium. There are numerous O—H...O, O—H...N, N—H...O, N—H...N and C—H...O hydrogen bonds. Most of the components of the structure are organized into one plane.  相似文献   

12.
Coordination Polymeric 1, 2‐Dithiooxalato and 1, 2‐Dithiosquarato Complexes. Syntheses and Structures of [BaCr2(bipy)2(1, 2‐dtox)4(H2O)2], [Ni(cyclam)(1, 2‐dtsq)]·2DMF, [Ni(cyclam)Mn(1, 2‐dtsq)2(H2O)2]·2H22, and [H3O][H5O2][Cu(cyclam)]3[Cu2(1, 2‐dtsq)3]2 1, 2‐Dithioxalate and 1, 2‐dithiosquarate ions have a pair of soft and hard donor centers and thus are suited for the formation of coordination polymeric complexes containing soft and hard metal ions. The structures of four compounds with building blocks containing these ligands are reported: In [BaCr2(bipy)2(1, 2‐dtox)4(H2O)2] Barium ions and pairs of Cr(bipy)(1, 2‐dtox)2 complexes form linear chains by the bisbidentate coordination of the dithiooxalate ligands towards Ba2+ and Cr3+. In [Ni(cyclam)(1, 2‐dtsq)]·2DMF short NÖH···O hydrogen bonds link the NiS2N4‐octahedra with C2v‐symmetry to an infinite chain. In [Ni(cyclam)Mn(1, 2‐dtsq)2(H2O)2]·2H2O the 1, 2‐dithiosquarato ligand shows a rare example of S‐coordination towards manganese(II). The sulfur atoms of cis‐MnO2S4‐polyedra are weakly coordinated towards the axial sites of square‐planar NiN4‐centers, thus forming a zig‐zag‐chain of Mn···Ni···Mn···Ni polyhedra. [H3O][H5O2][Cu (cyclam)]3[Cu2(1, 2‐dtsq)3]2 contains square planar [CuII(cyclam)]2+ ions and dinuclear [CuI2(1, 2‐dtsq)3]4— ions. Here each copper atom is trigonally planar coordinated by S‐donor atoms of the ligands. The Cu…Cu distance is 2.861(4)Å.  相似文献   

13.
The crystal structure of the title compound, C10H10N2O2·H2O, also known as l ‐5‐benzylhydantoin monohydrate, is described in terms of two‐dimensional supramolecular arrays built up from infinite chains assembled via N—H...O and O—H...O hydrogen bonds among the organic molecules and solvent water molecules, with graph‐set R33(10)C(5)C22(6). The hydrogen‐bond network is reinforced by stacking of the layers through C—H...π interactions.  相似文献   

14.
Reactions of 1,10‐phenanthroline monohydrate, Na2C4H4O4 · 6 H2O and MnSO4 · H2O in CH3OH/H2O yielded a mixture of [Mn2(H2O)4(phen)2(C4H4O4)2] · 2 H2O ( 1 ) and [Mn(phen)2(H2O)2][Mn(phen)2(C4H4O4)](C4H4O4) · 7 H2O ( 2 ). The crystal structure of 1 (P1 (no. 2), a = 8.257(1) Å, b = 8.395(1) Å, c = 12.879(2) Å, α = 95.33(1)°, β = 104.56(1)°, γ = 106.76(1)°, V = 814.1(2) Å3, Z = 1) consists of the dinuclear [Mn2(H2O)4(phen)2(C4H4O4)2] molecules and hydrogen bonded H2O molecules. The centrosymmetric dinuclear molecules, in which the Mn atoms are octahedrally coordinated by two N atoms of one phen ligand and four O atoms from two H2O molecules and two bis‐monodentate succinato ligands, are assembled via π‐π stacking interactions into 2 D supramolecular layers parallel to (101) (d(Mn–O) = 2.123–2.265 Å, d(Mn–N) = 2.307 Å). The crystal structure of 2 (P1 (no. 2), a = 14.289(2) Å, b = 15.182(2) Å, c = 15.913(2) Å, α = 67.108(7)°, β = 87.27(1)°, γ = 68.216(8)°, V = 2934.2(7) Å3, Z = 2) is composed of the [Mn(phen)2(H2O)2]2+ cations, [Mn(phen)2(C4H4O4)] complex molecules, (C4H4O4)2– anions, and H2O molecules. The (C4H4O4)2– anions and H2O molecules form 3 D hydrogen bonded network and the cations and complex molecules in the tunnels along [001] and [011], respectively, are assembled via the π‐π stacking interactions into 1 D supramolecular chains. The Mn atoms are octahedrally coordinated by four N atoms of two bidentate chelating phen ligands and two water O atoms or two carboxyl O atoms (d(Mn–O) = 2.088–2.129 Å, d(Mn–N) = 2.277–2.355 Å). Interestingly, the succinato ligands in the complex molecules assume gauche conformation bidentately to chelate the Mn atoms into seven‐membered rings.  相似文献   

15.
The two title compounds of 2,2′‐biimidazole (Bim) with 5‐sulfosalicylic acid (5‐H2SSA) and 2,2′‐bibenzimidazole (Bbim) with 5‐H2SSA are 1:2 organic salts, viz. C6H8N42+·2C7H5O6S, (I), and C14H12N42+·2C7H5O6S·3H2O, (II). The cation of compound (I) lies on a centre of inversion, whereas that of (II) lies on a twofold axis. Whilst compound (I) is anhydrous, three water molecules are incorporated into the crystal structure of (II). The substitution of imidazole H atoms by other chemical groups may favour the incorporation of water molecules into the crystal structure. In both compounds, the component cations and anions adopt a homogeneous arrangement, forming alternating cation and anion layers which run parallel to the (001) plane in (I) and to the (100) plane in (II). By a combination of N—H...O, O—H...O and C—H...O hydrogen bonds, the ions in both compounds are linked into three‐dimensional networks. In addition, π–π interactions are observed between symmetry‐related benzene rings of Bbim2+ cations in (II).  相似文献   

16.
The title compound, [Fe(C10H15)2][Ni(C3OS4)2]·C4H8O or [Fe(Cp*)2][Ni(dmio)2]·THF, where [Fe(Cp*)2]+ is the deca­methyl­ferrocenium cation, dmio is the 2‐oxo‐1,3‐dithiole‐4,5‐dithiol­ate dianion and THF is tetra­hydro­furan, crystallizes with two independent half‐anion units [one Ni atom is at the centre of symmetry (, , 0) and the other is at the centre of symmetry (, 0, )], one cation unit (located in a general position) and one THF solvent mol­ecule in the asymmetric unit. The crystal structure consists of two‐dimensional layers composed of parallel mixed chains, where pairs of cations alternate with single anions. These layers are separated by sheets of anions and THF mol­ecules.  相似文献   

17.
Yellow–orange tetraaquabis(3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κN3)cadmium(II) dihydrate, [Cd(C8HN4O2)2(H2O)4]·2H2O, (I), and yellow tetraaquabis(3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κN3)cadmium(II) 1,4‐dioxane solvate, [Cd(C8HN4O2)2(H2O)4]·C4H8O2, (II), contain centrosymmetric mononuclear Cd2+ coordination complex molecules in different conformations. Dark‐red poly[[decaaquabis(μ2‐3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κ2N:N′)bis(μ2‐3‐cyano‐4‐dicyanomethylene‐1H‐pyrrole‐2,5‐diolato‐κ2N:N′)tricadmium] hemihydrate], [Cd3(C8HN4O2)2(C8N4O2)2(H2O)10]·0.5H2O, (III), has a polymeric two‐dimensional structure, the building block of which includes two cadmium cations (one of them located on an inversion centre), and both singly and doubly charged anions. The cathodoluminescence spectra of the crystals are different and cover the wavelength range from UV to red, with emission peaks at 377 and 620 nm for (III), and at 583 and 580 nm for (I) and (II), respectively.  相似文献   

18.
The title compound, {[Mn(C4H4O6)(C12H8N2)]·6H2O}n, has a linear chain structure containing monomeric [Mn(C4H4O6)(C12H8N2)] repeat units. Each manganese ion is six‐coordinate, with the two phenanthroline N atoms [Mn—N = 2.229 (2) and 2.235 (2) Å] and four O atoms from two tartrate anions [Mn—OCOO = 2.1252 (19) and 2.1310 (19) Å, and Mn—OOH = 2.2404 (19) and 2.2424 (19) Å] forming a seriously distorted octahedral coordination environment. Six water mol­ecules exist outside every repeat unit as solvate mol­ecules. Extensive hydrogen‐bonding interactions and π–π stacking of the phenanthroline moieties exist between the chains.  相似文献   

19.
In recent years, N‐heterocyclic carboxylate ligands have attracted much interest in the preparation of new coordination polymers since they contain N‐atom donors, as well as O‐atom donors, and have a rich variety of coordination modes which can lead to polymers with intriguing structures and interesting properties. A new two‐dimensional coordination polymer, namely poly[[μ3‐2,2′‐(1,2‐phenylene)bis(4‐carboxy‐1H‐imidazole‐5‐carboxylato)‐κ6O4,N3,N3′,O4′:O5:O5′]manganese(II)], [Mn(C16H8N4O8)]n or [Mn(H4Phbidc)]n, has been synthesized by the reaction of Mn(OAc)2·4H2O (OAc is acetate) with 2,2′‐(1,2‐phenylene)bis(1H‐imidazole‐4,5‐dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, each MnII ion is six‐coordinated by two N atoms from one H4Phbidc2− ligand and by four O atoms from three H4Phbidc2− ligands, forming a significantly distorted octahedral MnN2O4 coordination geometry. The MnII ions are linked by hexadentate H4Phbidc2− ligands, leading to a two‐dimensional structure parallel to the ac plane. In the crystal, adjacent layers are further connected by N—H…O hydrogen bonds, forming a three‐dimensional structure in the solid state.  相似文献   

20.
The ZnII center in the dicationic complex of the title compound, [Zn(C10H7N3S)3](NO3)2·0.5C2H5OH·H2O, is in a distorted octahedral environment with imperfect noncrystallographic C3 symmetry. Each 2‐(1,3‐thiazol‐2‐yl)‐1H‐benzimidazole ligand coordinates in a bidentate manner, with the Zn—N(imidazole) bond lengths approximately 0.14 Å shorter than the Zn—N(thiazole) bond lengths. Charge‐assisted hydrogen bonds connect cations, anions and water molecules. A lattice void is occupied by an ethanol solvent molecule disordered about a crystallographic inversion center and π‐stacking is observed between one type of symmetry‐related benzene rings.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号