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Crystal structure of aqua-trans-bis-(dimethyl sulfoxide-κO)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)nickel(II).

ABSTRACT: In the title complex, [Ni(C7H3NO4)(C2H6OS)2(H2O)], the NiII cation is situated on a twofold rotation axis and exhibits a distorted octa-hedral NO5 coordination environment defined by a tridentate pyridine-2,6-di-carb-oxy-lic acid dianion (dpa2-), two dimethyl sulfoxide (DMSO) mol-ecules, and a water mol-ecule. In the crystal, the complex mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional network whereby DMSO mol-ecules from neighboring complexes overlap to form layers parallel to (001), alternating with layers of NiII-dpa2- moieties. The title complex is isotypic with its cobalt(II) analogue.

SUBMITTER: Liu C

PROVIDER: S-EPMC5418805 | biostudies-literature | 2017 May

REPOSITORIES: biostudies-literature

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Crystal structure of aqua-trans-bis-(dimethyl sulfoxide-κO)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)nickel(II).

Liu Chen C Felts Ashley C AC Takahashi Daisuke D Kinden Wesley S WS Abboud Khalil A KA

Acta crystallographica. Section E, Crystallographic communications 20170428 Pt 5

In the title complex, [Ni(C7H3NO4)(C2H6OS)2(H2O)], the NiII cation is situated on a twofold rotation axis and exhibits a distorted octa-hedral NO5 coordination environment defined by a tridentate pyridine-2,6-di-carb-oxy-lic acid dianion (dpa2-), two dimethyl sulfoxide (DMSO) mol-ecules, and a water mol-ecule. In the crystal, the complex mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen ...[more]

PMID: 28529797

Similar Datasets

Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-di-carboxyl-ato-κ(3) O,N,O')nickel(II)]-μ-pyrazine-κ(2) N:N'].

Project description:The title coordination polymer, [Ni(C7H3NO4)(C4H4N2)(C2H6OS)] n , consists of [010] chains composed of Ni(II) ions linked by bis-monodentate-bridging pyrazine mol-ecules. Each of the two crystallographically distinct Ni(II) ions is located on a mirror plane and is additionally coordinated by a dimethyl sulfoxide (DMSO) ligand through the oxygen atom and by a tridentate 2,6-pyridine-di-carb-oxy-lic acid dianion through one of each of the carboxyl-ate oxygen atoms and the pyridine nitro-gen atom, leading to a distorted octa-hedral coordination environment. The title structure exhibits an inter-esting complementarity between coordinative bonding and π-π stacking where the Ni-Ni distance of 7.0296 (4) Å across bridging pyrazine ligands allows the pyridine moieties on two adjacent chains to inter-digitate at halfway of the Ni-Ni distance, resulting in π-π stacking between pyridine moieties with a centroid-to-plane distance of 3.5148 (2) Å. The double-chain thus formed also exhibits C-H⋯π inter-actions between pyridine C-H groups on one chain and pyrazine mol-ecules on the other chain. As a result, the inter-ior of the double-chain structure is dominated by π-π stacking and C-H⋯ π inter-actions, while the space between the double-chains is occupied by a C-H⋯O hydrogen-bonding network involving DMSO ligands and carboxyl-ate groups located on the exterior of the double-chains. This separation of dissimilar inter-actions in the inter-ior and exterior of the double-chains further stabilizes the crystal structure.

| S-EPMC4908528 | biostudies-literature

Hexaaqua-nickel(II) tetra-aqua-bis-(μ-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-μ-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H⋯O and C-H⋯O hydrogen bonds and C-O⋯π stacking of the pyridine and carboxyl-ate groups [3.570 (1), 3.758 (1) and 3.609 (1) Å], are observed in the crystal structure.

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Poly[aqua-(dimethyl sulfoxide)(μ(4)-pyridine-2,5-dicarboxyl-ato)calcium(II)].

Project description:In the polymeric title compound, [Ca(C(7)H(3)NO(4))(H(2)O)(C(2)H(6)OS)](n), the Ca(II) ion is coordinated in a distorted penta-gonal-bipyramidal CdNO(6) geometry. The crystal packing is stabilized by O-H⋯O hydrogen bonds and π-π stacking inter-actions between the aromatic rings of pyridine-2,5-dicarb-oxy-late with centroid-centroid distances of 3.6166 (13) Å.

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Aqua-(1,10-phenanthroline)(pyridine-2,6-dicarboxyl-ato)nickel(II) pyridine-2,6-di-carboxylic acid solvate tetra-hydrate.

Project description:The title compound, [Ni(C(7)H(3)NO(4))(C(12)H(8)N(2))(H(2)O)]·C(7)H(5)NO(4)·4H(2)O or [Ni(pydc)(phen)(H(2)O)].pydcH(2)·4H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with the proton-transfer compound (phenH)(2)(pydc) (phen is 1,10-phenanothroline and pydcH(2) is pyridine-2,6-dicarboxylic acid) in aqueous solution. Both the cationic and anionic portions of the starting proton-transfer compound are involved in the complexation. The Ni(II) atom has a distorted octa-hedral geometry and is hexa-coordinated by three O atoms and three N atoms from one phen fragment (as a bidentate ligand), one (pydc)(2-) unit (as a tridentate ligand) and one water mol-ecule. In the crystal structure, extensive O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds with D⋯A distances ranging from 2.573 (2) to 3.385 (2) Å, π-π inter-actions between the phen ring systems [with centroid-centroid distances of 3.4694 (12), 3.4781 (11) and 3.8310 (11) Å] and inter-molecular C-O⋯π inter-actions [C⋯π distances of 3.4812 (17), 3.5784 (16) and 3.5926 (16) Å] connect the various components together.

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trans-Chlorido(dimethyl sulfoxide-κS)(pyridine-2-carboxyl-ato-κN,O)platinum(II).

Project description:In the title complex, [Pt(C(6)H(4)NO(2))Cl(C(2)H(6)OS)], the Pt(II) ion is in a distorted square-planar environment defined by the N and O atoms from the chelating pyridine-2-carboxyl-ate (pic) anionic ligand, one S atom of the dimethyl sulfoxide mol-ecule and one Cl ion. The complex is disposed about a crystallographic mirror plane parallel to the ac plane passing through all the atoms of the complex except the methyl atoms of the dimethyl sulfoxide. The mol-ecules are stacked in columns along the b axis with a Pt⋯Pt distance of 4.9508 (5) Å. Within the column, inter-molecular C-H⋯O hydrogen bonds and weak π-π inter-actions between adjacent pyridine rings are present, the shortest centroid-centroid distance being 5.153 (4) Å.

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Crystal structure of trans-di-aqua-(1,4,8,11-tetra-aza-undeca-ne)nickel(II) bis-(pyridine-2,6-di-carboxyl-ato)nickel(II).

Project description:The asymmetric unit of the title compound, trans-di-aqua-(1,4,8,11-tetra-aza-undecane-κ4 N 1,N 4,N 8,N 11)nickel(II) bis-(pyridine-2,6-di-carboxyl-ato-κ3 O 2,N,O 6)nickel(II) {[Ni(L)(H2O)2][Ni(pdc)2] where L = 1,4,8,11-tetra-aza-undecane (C7H20N4) and pdc = the dianion of pyridine-2,6-di-carb-oxy-lic acid (C7H3NO4 2-)} consists of an [Ni(L)(H2O)2]2+ complex cation and a [Ni(pdc)2]2- anion. The metal ion in the cation is coordinated by the four N atoms of the tetra-amine ligand and the mutually trans O atoms of the water mol-ecules in a tetra-gonally elongated octa-hedral geometry with the average equatorial Ni-N bond length slightly shorter than the average axial Ni-O bond [2.087 (4) versus 2.128 (4) Å]. The ligand L adopts its energetically favored conformation with five-membered and six-membered chelate rings in gauche and chair conformations, respectively. In the complex anion, the NiII ion is coordinated by the two tridentate pdc2- ligands via their carboxyl-ate and nitro-gen atom donors in a distorted octa-hedral trans-NiO4N2 geometry with nearly orthogonal orientation of the planes defining the carboxyl-ate rings and the average Ni-N bond length [1.965 (4) Å] shorter than the average Ni-O bond distance [2.113 (7) Å]. In the crystal, the NH donor groups of the tetra-amine, the carb-oxy-lic groups of the pdc2- anion and the coordinated water mol-ecules are involved in numerous N-H⋯O and O-H⋯O hydrogen bonds, leading to electroneutral sheets oriented parallel to the (001) plane.

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Tris(5,6-dimethyl-1H-benzimidazole-κN(3))(pyridine-2,6-dicarboxyl-ato-κ(3)O(2),N,O(6))nickel(II).

Project description:The title mononuclear complex, [Ni(C(7)H(3)NO(4))(C(9)H(10)N(2))(3)], shows a central Ni(II) atom which is coordinated by two carboxyl-ate O atoms and the N atom from a pyridine-2,6-dicarboxyl-ate ligand and by three N atoms from different 5,6-dimethyl-1H--benzimidazole ligands in a distorted octa-hedral geometry. The crystal structure shows intermolecular N-H⋯O hydrogen bonds.

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Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-κO)nickel(II) tetra-hydrate.

Project description:In the title compound, [Ni(C(6)H(3)ClNO(2))(2)(H(2)O)(4)]·4H(2)O, the Ni(II) ion is located on an inversion centre and is octa-hedrally coordinated by four O atoms from four water mol-ecules in the equatorial plane and two O atoms of two 6-chloro-3-carboxyl-ate ligands in axial positions. There are also four lattice water molecules present. The organic ligands are bound to the Ni(II) ion in a monodentate manner through a carboxyl-ate O atom. There is one strong intra-molecular O-H⋯O hydrogen bond and six inter-molecular O-H⋯O and O-H⋯N hydrogen-bonding inter-actions in the packing, resulting in a complex three-dimensional network structure.

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Crystal structure of a heterometallic coordination polymer: catena-poly[[[tetra-aqua-cobalt(II)]-μ-pyridine-2,6-di-carboxyl-ato-calcium(II)-μ-pyridine-2,6-di-carboxyl-ato] dihydrate].

Project description:In the crystal of the title polymeric complex, {[CoCa(C7H3NO4)2(H2O)4]·2H2O} n (1), the CoII ion is N,O,O'-chelated by two pyridine-2,6-di-carboxyl-ate anions in a distorted N2O4 octa-hedral geometry, and two carboxyl-ate O atoms of pyridine-2,6-di-carboxyl-ate anions bridge tetra-aqua-calcium(II) units to form polymeric chains propagating along the b-axis direction. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds, and offset π-π stacking inter-actions [inter-centroid distances = 3.551 (1) and 3.746 (1) Å] involving inversion-related pyridine rings link the polymeric chains and lattice water mol-ecules to form a supra-molecular three-dimensional framework.

| S-EPMC6002818 | biostudies-literature

Bis(4-carb-oxy-pyridine-2-carboxyl-ato-κN,O)copper(II) dimethyl sulfoxide disolvate.

Project description:In the title complex, [Cu(C(7)H(4)NO(4))(2)]·2C(2)H(6)OS, the Cu(II) atom is situated on an inversion centre and is N,O-chelated by two monoanionic 4-carb-oxy-pyridine-2-carboxyl-ate ligands in a slightly distorted square-planar coordination geometry. The dimethyl sulfoxide solvent mol-ecules and Cu(II) complex mol-ecules are linked by O-H⋯O hydrogen bonding. In addition, C-H⋯O contacts and π-π inter-actions [centroid-centroid distance = 3.590 (1) Å] occur.

| S-EPMC3051791 | biostudies-literature