NaI Atoms Research Articles

Crystal structure of poly[(aceto-nitrile-κN)(μ3-7-{[bis-(pyridin-2-ylmeth-yl)amino]-meth-yl}-8-hy-droxy-quinoline-5-sulfonato-κ4N,O:O':O'')sodium

In the title compound, [Na(C22H19N4O4S)(CH3CN)]n, the NaI atom adopts a distorted square-pyramidal coordination geometry, formed by one N and one O atom of the qunolinol moiety in the ligand, two O atoms of sulfonate moieties of two adjacent ligands and the N atom of the coordinated aceto-nitrile solvent. The NaI atom is located well above the mean basal plane of the square-based pyramid. The apical position is occupied by a sulfonate O atom of a neighboring ligand. Three N atoms of the bis-(pyridin-2-ylmeth-yl)amine moiety in the ligand are not coordinated by the sodium atom. The mol-ecule forms an intra-molecular bifurcated O-H⋯[N(tertiary amine),N(pyridine)] hydrogen bond, generating S(6) and S(5) rings. In the crystal, four mol-ecules are linked by four Na-O(sulfonato) bridged coordination bonds, forming a supra-molecular centrosymmetric tetra-mer unit comprising an eight-membered ring, and generating a two-dimensional network sheet. The mol-ecules of different sheets form inter-molecular C-H⋯O hydrogen bonds, and thereby a three-dimensional network structure.

Three-dimensional organic-inorganic hybrid sodium halide perovskite: C4H12N2·NaI3 and a hydrogen-bonded supramolecular three-dimensional network in 3C4H12N2·NaI4·3I·H2O.

The rational selection of ligands is vitally important in the construction of new organic-inorganic hybrid three-dimensional perovskite complexes. As part of an exploration of perovskite-type materials, two new Na-I compounds based on the piperazine ligand, namely poly[piperazinediium [tri-μ-iodido-sodium]], {(C4H12N2)[NaI3]}n, 1, and catena-poly[tris(piperazinediium) [[triiodidosodium]-μ-iodido] triiodide monohydrate], {(C4H12N2)3[NaI4]I3·H2O}n, 2, have been synthesized by adjusting the stoichiometric ratio of sodium iodide and piperazine, and were characterized by single-crystal X-ray diffraction. In the crystal structures of 1 and 2, each NaI cation is linked to six I atoms, but the compounds show completely different configurations. In 1, the structure includes a perovskite-like array of vertex-sharing NaI6 octahedra stretching along the direction of the three axes, and each piperazinediium dication is enclosed in the NaI3 perovskite cage. However, in 2, each NaI atom bridges a single I atom to form a one-dimensional linear chain, and complex intermolecular hydrogen bonds connect these one-dimensional chains into a three-dimensional supramolecular network.

Structural and Hirshfeld Surface Analyses of a Novel Hetero-Tetranuclear CuII-NaI Bis(Salamo)-Based Coordination Compound

The newly designed butterfly-shaped hetero-tetranuclear CuII-NaI coordination compound, [Cu3(HL)2Na]∙Pic (Pic− is abbreviation of picrate) (1) which is derived from a naphthalenediol-based bis(Salamo)-type chelating ligand H4L have been synthesized and characterized by elemental analyses, UV-vis spectra, IR spectra analysis, and Hirshfeld surface analysis. X-ray crystallographic analyses revealed that the coordination compound 1 is a novel hetero-tetranuclear CuII-NaI bis(Salamo)-type coordination compound and it differs from heterotrinuclear CuII-NaI bis(Salamo)-type coordination compound reported earlier. The Cu1 and Cu3 atoms are tetra-coordinated with geometries of distorted square pyramid, while Cu2 atom are hexa-coordinated with the geometry of a distorted octahedron. The NaI atom is octa-coordinated with the geometry of a distorted hexagonal bipyramid. Furthermore, the supramolecular structure and Hirshfeld surface analyses have been discussed in detail.

Heterotrimetallic Organic Framework Assembled with FeIII/BaII/NaI and Schiff Base: Structure and Visible Photocatalytic Degradation of Chlorophenols

A porous heterotrimetallic organic framework, [BaNa(FeL)2(μ2-OH)(H2O)]·DMF·2H2O (1) [H4L = 1,2-cyclohexanediamino-N,N′-bis(3-methyl-5-carboxysalicylidene)], has been synthesized and characterized. Each FeIII ion is embedded in the internal [N2O2] pocket of an L4– anion and further bridged by a μ2-OH anion to give an (FeL)2(μ2-OH) dimer. The external carboxylate groups of L4– anions coordinate to BaII and NaI atoms to generate a three-dimensional periodic network. The sorption properties and UV–vis spectrum of 1 have been studied. The photodegradation of 2-chlorophenol (2-CP), 3-CP, and 4-CP by 1 at different pH values under visible light has also been systematically investigated.

Poly[[hexa-μ-aqua-diaquabis(μ4-dihydrogen benzene-1,2,4,5-tetracarboxylato)magnesiumdisodium] dihydrate

The asymmetric unit of the title compound, {[MgNa2(C10H4O8)2(H2O)8]·2H2O}n, contains one octa­hedrally coordin­ated MgII atom (site symmetry 2/m), one octahedrally coordinated NaI atom (site symmetry 2) and one half of the dihydrogen benzene-1,2,4,5-tetra­carboxyl­ate (btec) ligand, the second half of the ligand being generated by a twofold rotation axis. The basic framework of the title compound features infinite (–Na–Na–Mg–)n chains along [10-1] with the metal cations bridged by the coordinating water molecules. The chains are isolated from each other by μ4-bridging btec ligands, which form inter­molecular O—H⋯O hydrogen bonds to uncoordinated water mol­ecules and the coordinated water mol­ecules of a neighbouring chain. In each btec ligand, there are also intramolecular O—H⋯O hydrogen bonds.

A one-dimensional coordination polymer constructed from isatine-3-oximate and sodium

The reaction of hydroxyl­amine hydro­chloride with isatin in ethanol, catalysed with HCl and neutralized with Na2CO3, yielded the one-dimensional coordination polymer, catena-poly[[[aqua­sodium]-di-μ-aqua-[aqua­sodium]-bis­(μ-2-oxoindoline-2,3-dione 3-oximato)] tetra­kis­(oxoindoline-2,3-dione 3-oxime)], {[Na(C8H5N2O2)(H2O)2]·2C8H6N2O2}n. The NaI atom has a six-coordinate distorted-octa­hedral environment. Isatine-3-oximate O atoms and water mol­ecules bridge adjacent Na atoms, forming a one-dimensional polymeric structure parallel to [100]. Each isatine-3-oxime dimerizes through N—H⋯O interactions and in addition each oxime is linked to a coordination polymer. Thus, coordination polymers are linked by O—H⋯O and O—H⋯N interactions from isatine-3-oxime dimers, building a two-dimensional network parallel to [110].

One-dimensional cadmium(II)/bicinate(−1) complexes : The role of the alkali metal ion used in the reaction medium

The initial employment of N,N-bis(2-hydroxyethyl)glycine (bicine; bicH3) in CdCl2 chemistry is reported, and the syntheses, IR spectra and crystal structures of the 1D coordination polymers [CdCl(bicH2)]n·nH2O (1·H2O) and [CdNaCl2(bicH2)(MeOH)]n (2) are described. The identity of the products depends on the solvent, the reaction temperature and the alkali metal ion of the base used. The structure of 1·H2O consists of zig-zag chains. The 7-coordinate CdII atoms are bridged by η1:η1:μ2 carboxylate groups of the 2.21111 (Harris notation) bicH2− ligand. The coordination geometry of the metal center can be either described as a very distorted pentagonal bipyramidal or as a distorted capped octahedral. In the structure of 2 the CdII atoms form an almost linear chain with neighboring NaI atoms on opposite sites of the chain. Every pair of CdII atoms is linked by two chloro ligands and the two oxygen atoms of the bicinate carboxylate group. The CdII and NaI atoms are bridged by one μ2 carboxylate bicinate oxygen and one μ3 chloro ligand. The 3.21,211121212 coordination mode of bicH2− is unprecedented. The CdCl4(Ocarboxylate)2 and Na(Ohydroxyl)2(Ocarboxylate)(OMeOH)NCl coordination spheres are octahedral and trigonal prismatic, respectively. IR data of the complexes are discussed in terms of the coordination modes of bicH2− and the known structures.

Poly[[diaquatris(μ2-3-methylpyridine-2-carboxylato)(3-methylpyridine-2-carboxylato)sodiumterbium(III)] ethanol monosolvate monohydrate

In the title compound, {[NaTb(C7H6NO2)4(H2O)2]·C2H5OH·H2O}n, the TbIII atom is eight-coordinated in a slightly distorted square-anti­prismatic geometry defined by four carboxyl­ate O atoms and four pyridine N atoms. The bond lengths lie within the range 2.3000 (2)–2.326 (2) Å for the Tb—O bonds and 2.543 (3)–2.553 (3) Å for the Tb—N bonds. The NaI atom is five-coordinated by two water O atoms and three carboxyl­ate O atoms in a distorted square-pyramidal geometry. In the crystal, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network.

Catena-Poly[[(5-carboxy-2H-1,2,3-triazole-4-carboxylato-κ2N3,O4)sodium]-di-μ-aqua-κ4O:O

In the title coordination polymer, [Na(C4H2N3O4)(H2O)2]n, the NaI atom is six-coordinated by one O atom and one N atom from a 2H-1,2,3-triazole-4-carb­oxy-5-carboxyl­ate ligand and four O atoms from four water mol­ecules, forming a distorted octa­hedal geometry. The NaI atoms are bridged by water mol­ecules into a chain structure along [100]. Inter­molecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds connect the chains. An intra­molecular O—H⋯O hydrogen bond between the carboxyl­ate groups is observed.

A Family of 3-D Coordination Polymers Composed of Mixed-Valence Mn6 Octahedra within Na4 Tetrahedra

The combined use of 1,1,1-tris(hydroxymethyl)ethane (thmeH3) and azides in Mn carboxylate chemistry has yielded a new family of decanuclear [Mn6Na4O(N3)(O2CR)5(thme)4(H2O)4] (R = Me (1); Et (2)) complexes consisting of mixed-valence Mn 2 II Mn 4 III units with a very rare [Mn6(μ6-O)]14+ octahedral core contained within a tetrahedron of four NaI atoms. The [Mn6Na4] units of 1 and 2 are connected via the Na atoms to neighboring units, giving 3-D supramolecular assemblies with large channel cavities. Variable-temperature, solid-state dc and ac magnetization studies carried out in the 1.8–300 K range reveal that the Mn6 units of 1 and 2 are antiferromagnetically coupled to give S = 0 ground states for both complexes.

Poly[tetraaqua(μ4-benzene-1,3,5-tricarboxylato)sodium(I)zinc(II)

In the title compound, [NaZn(C9H3O6)(H2O)4]n, the ZnII atom is six-coordinated by four O atoms from two different benzene-1,3,5-tricarboxyl­ate anions and two water O atoms in a distorted tetragonal-bipyramidal geometry and the NaI atom is five-coordinated by three O atoms from three different benzene-1,3,5-tricarboxyl­ate anions and two water O atoms in a distorted trigonal-bipyramidal geometry. The benzene-1,3,5-tricarboxyl­ate anion bridges two ZnII atoms and two NaI atoms, resulting in the formation of a two-dimensional layer structure. Inter­molecular O—H⋯O hydrogen-bonding inter­actions generate a three-dimensional superamolecular structure.

Structural Flexibility and Selective Guest Accommodation in Two CuII Metal–Organic Coordination Frameworks

AbstractTwo metal–organic coordination frameworks of CuII, [Na2Cu(2,4‐pyrdc)(H2O)(μ‐OH2)2]n (1) and {[Cu(2,5‐pyrdc) (NH3)](2H2O)}n (2) (2,4‐pyrdc = pyridine‐2,4‐dicarboxylate; 2,5‐pyrdc = pyridine‐2,5‐dicarboxylate), were synthesized and structurally characterized. The structure of compound 1 was known and shows that Cu(2,4‐pyrdc)2(H2O) functions as a metalloligand and is linked to two different NaI atoms to form a 3D heterometallic CuII–NaI framework. The single crystals of compound 2 were obtained from aqueous ammoniacal solution and crystallize in the triclinic (P$\bar {1}$) crystal system. Compound 2 is a 2D sheet consisting of two different CuII 1D chains bridged by a 2,5‐pyrdc ligand. Stacking of the 2D sheets results in a 3D supramolecular host with 1D water‐filled channels. Both frameworks are highly thermally stable and exhibit reversible structural transformation upon removal of the metal‐bound water and NH3 molecules for 1 and 2, respectively. Sorption studies reveal that desolvated frameworks 1′ and 2′ both behave nonporous to N2. However, 1′ exhibits structural transformation and hysteretic stepwise sorption of H2O and MeOH molecules, but THF and C6H6 molecules are not adsorbed. Similarly, H2O and MeOH molecules are easily adsorbed in 2′, but THF and C6H6 molecules are not. Such high selectivity in 1′ and 2′ was correlated to the smaller pore aperture and specific host–guest interaction conferred by the unsaturated Lewis acidic sites on the pore surfaces and the Lewis basic adsorbates. Low‐temperature magnetic study of 2 revealed that theCuII atoms are antiferromagnetically coupled, with J = –1.45 cm–1 and g = 2.01.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

Poly[octa-μ-aqua-tetraaquabis(μ4-5-sulfonatobenzene-1,3-dicarboxylato)nickel(II)tetrasodium

In the crystal structure of the title compound, [Na4Ni(C8H3O7S)2(H2O)12]n, the NiII cation occupies an inversion centre and is coordinated by the carboxyl groups of the sulfoisophthalate trianions and water mol­ecules in a distorted octa­hedral geometry. Two independent NaI atoms are connected by the carboxyl and sulfonate groups of the sulfoisophthalate ligands anions and water mol­ecules in a distorted octa­hedral geometry. The sulfoisophthalate ligands and coordinated water mol­ecules bridge the NiII and NaI cations, forming a three-dimensional polymeric structure. Weak π–π stacking is present between parallel benzene rings [centroid–centroid distance = 3.9349 (10) Å]. Extensive O—H⋯O and C—H⋯O hydrogen bonding helps to stabilize the crystal structure.

Poly[bis-(acetone-κO)bis-{μ(3)-1-[(5-chloro-2-oxidophenyl)diazenyl]-2-naphtholato-κO:O,O':O'}-sodium(I)-chromium(III)

The title compound, [CrNa(C16H9ClN2O2)2(C3H6O)2]n, is an azo-CrIII complex polymer that is used as a charge-control agent in electrophotography. The monomeric unit is composed of octa­hedral CrIII and NaI units, and is characterized by twofold rotation symmetry. The CrIII atom is chelated by two N and four O atoms from two [(5-chloro-2-oxidophen­yl)diazen­yl]-2-naphtholate ligands. The ligand anion exists in the cis form. The NaI atom is coordinated by two phen­oxy O atoms from a neighboring CrIII unit, two naphth­oxy O atoms from another neighboring CrIII unit and two O atoms from acetone mol­ecules. The dinuclear complex forms a one-dimensional polymer running along the c axis.

Poly[(μ4-chloranilato)bis(saccharin)disodium(I)

In the title compound {systematic name: poly[(μ4-2,5-dichloro-3,6-dihydr­oxy-1,4-benzoquinona­to)bis­[1,2-benzisothia­zol-3(2H)-one 1,1-dioxide]disodium(I)]}, [Na2(C6Cl2O4)(C7H5NO3S)2]n, the NaI atom is coordinated by six O atoms from three chloranilate ions and two saccharin ligands in a distorted octa­hedral geometry. There is an intra­molecular N—H⋯O hydrogen bond between the saccharin ligand and the chloranilate dianion. Each O atom of the chloranilate ion bonds to two NaI atoms, while the saccharin ligand bridges the NaI atoms via the carbonyl O atom and one of the sulfonyl O atoms. The Na atoms and bridging ligands form layers parallel to the ab plane at z = 0 and z = {1 \over 2}. The shortest Na⋯Na and Na⋯Cl distances in the layer are 3.6006 (12) and 3.0680 (7) Å, respectively.

Poly[[μ3-2-[(2-pyridylmethylene)amino]ethanesulfonato-κ5N,N′:O:O′:O′′]sodium(I)

In the title compound, [Na(C8H9N2O3S)]n, each NaI atom is five-coordinated by two N atoms from one 2-[(2-pyridylmethyl­ene)amino]ethanesulfonate (paesa−) anion and three O atoms from three other paesa− anions, in a distorted tetra­gonal–pyramidal geometry. The sulfonate O atoms bridge the NaI atoms to form a two-dimensional network.

Poly[diaquadi-μ-malonato-manganese(II)disodium(I)

The title compound, [Na2Mn(C3H2O4)2(H2O)2]n, obtained by the hydro­thermal reaction of MnCl2·4H2O, NaOH and malonic acid, is a three-dimensional polymeric complex bridged by malonate dianions. The MnII atom, which occupies an inversion centre, has distorted octa­hedral coordination, with Mn—O bonds in the range 2.1168 (10)–2.2666 (10) Å. The NaI atom has slightly distorted octa­hedral coordination, with Na—O distances ranging from 2.3700 (14) to 2.6117 (12) Å.

Possible strong symmetric hydrogen bonding in disodium trihydrogen bis(2,2′-oxydiacetate) nitrate

In the title compound, 2Na+·C8H11O10−·NO3−, the NaI atom is heptacoordinate with an approximately pentagonal–bipyramidal geometry. A possible strong symmetric hydrogen bond, with the H atom located at an inversion centre and an O⋯O distance of 2.450 (2) Å, is observed in the crystal structure.

Poly[disodium bis(μ-malonato)zincate(II) dihydrate

The title compound, {Na2[Zn(C3H2O4)2]·2H2O}n, is a three-dimensional polymeric complex bridged by malonate dianions. The malonate ligand exhibits versatile coordination modes and links two ZnII and four NaI atoms. The Zn atom occupies a special position in an inversion centre and is chelated by two malonate ligands [Zn—O = 2.0230 (10) and 2.0875 (11) A]; two other malonates are involved in monodentate coordin­ation of the Zn atom [Zn—O = 2.2789 (12) A], thus completing its octahedral coordination environment. The Na atom also has a distorted octahedral coordination, formed by four carboxyl­ate O atoms of four malonate ligands [2.4328 (15)–2.5493 (13) A] and two water mol­ecules [2.3749 (15) and 2.4144 (14) A].