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1.
The reaction of propane‐1,3‐diamine hydrochloride, 18‐crown‐6 and zinc(II) chloride in methanol solution yields the title complex salt [systematic name: propane‐1,3‐diaminium tetrachloridozincate(II)–1,4,7,10,13,16‐hexaoxacyclooctadecane (1/1)], (C3H12N2)[ZnCl4]·C12H24O6, with an unusual supramolecular structure. The diprotonated propane‐1,3‐diaminium cation forms an unexpected 1:1 supramolecular rotator–stator complex with the crown ether, viz. [C3H12N2(18‐crown‐6)]2+, in which one of the –NH3+ substituents nests in the crown and interacts through N—H...O hydrogen bonding. The other –NH3+ group interacts with the [ZnCl4]2− anion via N—H...Cl hydrogen bonding, forming cation–crown–anion ribbons parallel to [010].  相似文献   

2.
The title compound, (C6H9N2S)[ZnCl3{SC(NH2)2}], exists as a zincate where the zinc(II) centre is coordinated by three chloride ligands and a thiourea ligand to form the anion. The organic cation adopts the protonated 4,6‐dimethyl‐2‐sulfanylidenepyrimidin‐1‐ium (L) form of 4,6‐dimethylpyrimidine‐2(1H)‐thione. Two short N—H...Cl hydrogen bonds involving the pyrimidine H atoms and the [ZnCl3L] anion form a crystallographically centrosymmetric dimeric unit consisting of two anions and two cations. The packing structure is completed by longer‐range hydrogen bonds donated by the thiourea NH2 groups to chloride ligand hydrogen‐bond acceptors.  相似文献   

3.
The title salt, (C5H5N4S)2[ZnCl4], consists of two 6‐thioxo‐1,6‐dihydro­purinium (6mpH2+) cations (A and B) and a tetra­chloro­zincate anion, which are held together by N—H⋯Cl and C—H⋯Cl inter­actions. There is an anion–π inter­action between one Cl atom of the [ZnCl4] anion and the pyrimidine ring of the 6mpH2+(B) cation. Inter­molecular π–π stacking inter­actions allow 6mpH2+(A) cations to form anti­parallel pairs. One inter­esting structural feature is the double N—H⋯N inter­molecular hydrogen bonds between two 6mpH2+(A) cations. This kind of inter­action, mimicking that of natural nucleobases, can be very valuable in designing new therapeutic purine derivatives.  相似文献   

4.
The title compound, (C6H9N2)2[ZnIICl4], consists of two 2‐amino‐6‐methyl­pyridinium (AMP) cations and one [ZnCl4]2− anion, which are held together by N—H·Cl hydrogen bonds. Bond lengths within the AMP cation indicate that the imine tautomer makes a significant contribution to the structure. The mol­ecules are associated by two different π–π interactions between identical antiparallel AMP cations, with face‐to‐face distances of 3.627 (4) and 3.342 (3) Å, to form a one‐dimensional chain.  相似文献   

5.
The title bimetallic compound, [Yb43‐OH)4(C6H13NO2)7(H2O)7][ZnCl4][ZnCl3(OH)]Cl4·8H2O, was synthesized at near physiological pH (6.0). The compound exhibits some novel structural features, including an asymmetric [Yb43‐OH)4(l ‐leucine)7(H2O)7]8+ complex cation in which four OH groups act as bridging ligands, linking four Yb3+ cations into a Yb4O4 structural unit. Each pair of adjacent Yb3+ ions is further bridged by one carboxy group from a leucine ligand. Water mol­ecules and a monodentate leucine ligand also coordinate to Yb3+ ions, completing their eight‐coordinate square‐antiprismatic coordination. The Yb43‐OH)4(l ‐leu­cine)7(H2O)7]8+ cation, the [ZnCl4]2−, [ZnCl3OH]2− and Cl anions, and the lattice water mol­ecules are linked via hydrogen bonds.  相似文献   

6.
The crystal and molecular structures of the title compound, the first for a complex of the type [RuCp*(η6‐C8‐ring)]+, is presented, the material being obtained serendipitously from a reaction between RuCl(cod)Cp* and 1‐ferrocenylbuta‐1,3‐diyne in the presence of ZnCl2. <Ru‐C(Cp*)> (2.21 Å) is appreciably longer than in RuCp*2 (2.18 Å) and similar to the value for the Ru‐η6 component (2.22 Å).  相似文献   

7.
The title compound, (C6H9N2)[ZnCl3(C6H8N2)], consists of one 2‐amino‐5‐methyl­pyridinium cation and one (2‐amino‐5‐methyl­pyridine)trichloro­zincate(II) anion, which are held together by N—H·Cl hydrogen bonds and π–π inter­actions. The cation and the pyridine ligand show similar geometric features, except for the N—C bond lengths. Mol­ecules of the title compound are connected by N—H·Cl hydrogen bonds to form chiral chains; these chains are associated further by C—H·Cl hydrogen bonds to form layers, which are in turn linked by π–π inter­actions.  相似文献   

8.
The structure of trans‐[Cr(Me2tn)2Cl2]2ZnCl4 (Me2tn = 2,2‐dimethylpropane‐1,3‐diamine) was determined by a single‐crystal X‐ray diffraction study at 173 K. The analysis reveals that there are three crystallographically independent chromium(III) complex cations in the title compound. The chromium(III) atoms are coordinated by four nitrogen atoms of Me2tn and two chlorine atoms in a trans arrangement, displaying a distorted octahedral geometry. The two six‐membered chelate rings in three complex cations are oriented in an anti chair–chair conformation with respect to each other. The Cr–N and Cr–Cl bond lengths average 2.0862(2) and 2.3112(6) Å, respectively. The ZnCl42– have slightly distorted tetrahedral arrangement with Zn–Cl lengths and the Cl–Zn–Cl angles are influenced by hydrogen bonding. The resolved absorption maxima in the electronic d–d spectrum were fitted with a secular determinant for a quartet energy state of the d3 configuration in a tetragonal field. It is confirmed that the nitrogen atoms of the Me2tn ligand are strong σ donors, but the chloro ligands have weak σ‐ and π donor properties toward the chromium(III) ion.  相似文献   

9.
In the complex salt [η6‐1‐chloro‐2‐(pyrrolidin‐1‐yl)benzene](η5‐cyclopentadienyl)iron(II) hexafluoridophosphate, [Fe(C5H5)(C10H12ClN)]PF6, (I), the complexed cyclopentadienyl and benzene rings are almost parallel, with a dihedral angle between their planes of 2.3 (3)°. In a related complex salt, (η5‐cyclopentadienyl){2‐[η6‐2‐(pyrrolidin‐1‐yl)phenyl]phenol}iron(II) hexafluoridophosphate, [Fe(C5H5)(C16H17NO)]PF6, (II), the analogous angle is 5.4 (1)°. In both complexes, the aromatic C atom bound to the pyrrolidine N atom is located out of the plane defined by the remaining five ring C atoms. The dihedral angles between the plane of these five ring atoms and a plane defined by the N‐bound aromatic C atom and two neighboring C atoms are 9.7 (8) and 5.6 (2)° for (I) and (II), respectively.  相似文献   

10.
The two title complexes, [ZnCl2(C11H15N3O3)], (I), and [ZnCl2(C11H15N3O3)]·0.5H2O, (II), are mononuclear zinc(II) compounds. In both structures, the ZnII atom is four‐coordinated in a tetra­hedral configuration by one imine N atom and one phenolate O atom of a Schiff base, and by two Cl atoms. The structure of each of the two zinc(II) complex molecules of (II) is similar to that of (I). In (I), the mol­ecules are linked through inter­molecular hydrogen bonds, forming a three‐dimensional framework. In (II), the solvent water mol­ecules are linked to the zinc(II) moieties through inter­molecular O—H⋯O and O—H⋯Cl hydrogen bonds. The mol­ecules in (II) are further linked via other inter­molecular hydrogen bonds, forming a three‐dimensional framework.  相似文献   

11.
In the first title salt, [Cu(C12H8N2)2(C5H10N2Se)](ClO4)2, the CuII centre occupies a distorted trigonal–bipyramidal environment defined by four N donors from two 1,10‐phenanthroline (phen) ligands and by the Se donor of a 1,3‐dimethylimidazolidine‐2‐selone ligand, with the equatorial plane defined by the Se and by two N donors from different phen ligands and the axial sites occupied by the two remaining N donors, one from each phen ligand. The Cu—N distances span the range 1.980 (10)–2.114 (11) Å and the Cu—Se distance is 2.491 (3) Å. Intermolecular π–π contacts between imidazolidine rings and the central rings of phen ligands generate chains of cations. In the second salt, [Cu(C10H8N2)2(C3H6N2S)](ClO4)2, the CuII centre occupies a similar distorted trigonal–bipyramidal environment comprising four N donors from two 2,2′‐bipyridyl (bipy) ligands and an S donor from an imidazolidine‐2‐thione ligand. The equatorial plane is defined by the S donor and two N donors from different bipy ligands. The Cu—N distances span the range 1.984 (6)–2.069 (7) Å and the Cu—S distance is 2.366 (3) Å. Intermolecular π–π contacts between imidazolidine and pyridyl rings form chains of cations. A major difference between the two structures is due to the presence in the second complex of two N—H...O hydrogen bonds linking the imidazolidine N—H hydrogen‐bond donors to perchlorate O‐atom acceptors.  相似文献   

12.
The title compound, [Ru(C6H6NO2)2(C15H11N3)(H2O)]·CH3CN·H2O, is a transfer hydrogenation catalyst supported by nitro­gen‐donor ligands. This octa­hedral RuII complex features rare monodentate coordination of 3‐meth­oxy‐2‐pyridonate ligands and inter­ligand S(6)S(6) hydrogen bonding. Comparison of the title complex with a structural analog with unsubstituted 2‐pyridonate ligands reveals subtle differences in the orientation of the ligand planes.  相似文献   

13.
Two organic–inorganic hybrid compounds have been prepared by the combination of the 4‐[(E)‐2‐(pyridin‐1‐ium‐2‐yl)ethenyl]pyridinium cation with perhalometallate anions to give 4‐[(E)‐2‐(pyridin‐1‐ium‐2‐yl)ethenyl]pyridinium tetrachloridocobaltate(II), (C12H12N2)[CoCl4], (I), and 4‐[(E)‐2‐(pyridin‐1‐ium‐2‐yl)ethenyl]pyridinium tetrachloridozincate(II), (C12H12N2)[ZnCl4], (II). The compounds have been structurally characterized by single‐crystal X‐ray diffraction analysis, showing the formation of a three‐dimensional network through X—H...ClnM (X = C, N+; n = 1, 2; M = CoII, ZnII) hydrogen‐bonding interactions and π–π stacking interactions. The title compounds were also characterized by FT–IR spectroscopy and thermogravimetric analysis (TGA).  相似文献   

14.
The crystal structure of a nitrilotriacetate (nta) oxidovanadium(IV) salt with 4‐methylpyridinium cation, [4‐Me(Py)H]+, of [4‐Me(Py)H][VO(nta)(H2O)] stoichiometry was determined. The complex comprises a discrete mononuclear [VO(nta)(H2O)] coordination entity that can be rarely found among other known compounds containing nitrilotriacetate oxidovanadium(IV) moieties. The complex was characterized by spectroscopic (IR and EPR) methods, magnetic measurements, and thermogravimetry (TG‐FTIR). The stability of the title compound in aqueous solutions was investigated by using the potentiometric titration method. Furthermore, spectrophotometric (UV/Vis) studies have revealed that the compound is capable to scavenge the superoxide free radicals (O2 ? –) as well as stable organic radicals i.e. 2,2′‐azinobis(3‐ethylbenzothiazoline‐6 sulfonic acid) cation radical (ABTS+ ? ) and 2,2‐diphenyl‐1‐picrylhydrazyl radical (DPPH ? ). Finally, biological properties of the complex studied were investigated in relation to its cytoprotective activity against the oxidative damage generated exogenously by using hydrogen peroxide in the HT22 hippocampal neuronal cell line (the MTT assay). Additionally, the biological action of the compound towards two human osteosarcoma HOS and MG‐63 cell lines (the MTT and BrdU tests) as well as the untransformed human osteoblast hFOB 1.19 cell line was tested.  相似文献   

15.
The title compound, [Zn(SiF6)(C12H8N2)2]·CH3OH, contains a neutral heteroleptic tris‐chelate ZnII complex, viz. [Zn(SiF6)(phen)2] (phen is 1,10‐phenanthroline), exhibiting approximate molecular C2 point‐group symmetry. The ZnII cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a ZnII complex bearing a bidentate‐bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen‐bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%).  相似文献   

16.
In the title salt, 1,3‐bis­{[2‐(2‐pyridinio)eth­yl][2‐(2‐pyrid­yl)ethyl]amino}benzene diperchlorate dihydrate, C34H38N62+·2ClO4·2H2O, the cation contains two ethyl­pyrid­yl and two ethyl­pyridinium pendant pairs anchored to the two N atoms of 1,3‐phenyl­enediamine. The pyrid­yl and pyridinium N atoms are flanked by a mol­ecule of water through strong hydrogen‐bonding inter­actions [N—H⋯O = 2.762 (6) and 2.758 (6) Å, and O—H⋯N = 2.834 (6) and 2.839 (6) Å]. The water mol­ecules have weak hydrogen‐bonding inter­actions with the perchlorate anions as well. One of the perchlorate anions is severely disordered.  相似文献   

17.
The title complex, [ZnCl2(C7H6N2S)2], contains a Zn centre with a distorted tetrahedral coordination sphere, involving two Cl ligands and two endocyclic N atoms from the thia­zole moiety [Zn—Cl = 2.2284 (7) and 2.2236 (7) Å, and Zn—N = 2.081 (2) and 2.041 (2) Å]. The interplanar angle between the two ligands is 79.32 (6)°. The amino groups participate in intermolecular N—H⋯Cl hydrogen bonds, with N⋯Cl distances in the range 3.463 (2)–3.519 (2) Å.  相似文献   

18.
In the title complex, {[Cd2(C8H3NO6)2(C4H10N2)(H2O)4]·2H2O}n, the CdII atoms show distorted octahedral coordination. The two carboxylate groups of the dianionic 2‐nitroterephthalate ligand adopt monodentate and 1,2‐bridging modes. The piperazine molecule is in a chair conformation and lies on a crystallographic inversion centre. The CdII atoms are connected via three O atoms from two carboxylate groups and two N atoms from piperazine molecules to form a two‐dimensional macro‐ring layer structure. These layers are further aggregated to form a three‐dimensional structure via rich intra‐ and interlayer hydrogen‐bonding networks. This study illustrates that, by using the labile CdII salt and a combination of 2‐nitroterephthalate and piperazine as ligands, it is possible to generate interesting metal–organic frameworks with rich intra‐ and interlayer O—H...O hydrogen‐bonding networks.  相似文献   

19.
The 1:1 organic salt of the title compound, C7H6ClN2O+·C8H5Cl2O3? or [(2‐ABOX)(3,4‐D)], comprises the two constituent mol­ecules associated by an R22(8) graph‐set interaction through the carboxyl­ate group of 3,4‐D across the protonated N/N sites of 2‐ABOX [N?O 2.546 (3) and 2.795 (3) Å]. Cation/anion pairs associate across an inversion centre forming discrete tetramers via an additional three‐centre hydrogen‐bonding association from the latter N amino proton to a phenoxy O atom [N?O 3.176 (3) Å] and a carboxyl­ate O atom [N?O 2.841 (3) Å]. This formation differs from the polymeric hydrogen‐bonded chains previously observed for adduct structures of 2‐ABOX with carboxyl­ic acids.  相似文献   

20.
The title compound, C12H14FN2O3+·Br?, crystallizes in the non‐centrosymmetric P212121 space group. The absolute configuration of the pharmacologically active mol­ecule could be resolved in the hydro­bromide salt, the structure of which is reported. The mol­ecule of the title compound has the S configuration. The molecular packing in the crystal is stabilized by weak N—H?Br [N?Br = 3.240 (4) and 3.302 (4) Å] hydrogen bonding.  相似文献   

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