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Catena-Poly[[diaqua-bis-{?(2)-3,5-bis-[(pyridin-4-yl)methyl-amino]-benzoato}nickel] monohydrate].

ABSTRACT: In the title coordination polymer, {[Ni(C(19)H(17)N(4)O(2))(2)(H(2)O)(2)]·H(2)O}(n), the Ni(2+) cation is located on an inversion center and coordinated by two carboxyl-ate O atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, two O atoms from two coordinated water mol-ecules and two N atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, displaying a slightly distorted NiN(2)O(4) octa-hedral geometry. Each 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anion acts as a ?(2)-bridge, linking different nickel ions into a chain along [010]. In the crystal, adjacent chains are further linked through N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds into a three-dimensional network. The coordinated water mol-ecules and a disordered water mol-ecule of hydration with 0.50 site occupancy play an important role in the formation of these hydrogen-bonding inter-actions.

SUBMITTER: Kuai HW

PROVIDER: S-EPMC3201333 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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catena-Poly[[diaqua-bis-{μ(2)-3,5-bis-[(pyridin-4-yl)methyl-amino]-benzoato}nickel] monohydrate].

Kuai Hai-Wei HW Cheng Xiao-Chun XC

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the title coordination polymer, {[Ni(C(19)H(17)N(4)O(2))(2)(H(2)O)(2)]·H(2)O}(n), the Ni(2+) cation is located on an inversion center and coordinated by two carboxyl-ate O atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, two O atoms from two coordinated water mol-ecules and two N atoms from two different 3,5-bis-(pyridin-4-yl-methyl-amino)-benzoate anions, displaying a slightly distorted NiN(2)O(4) octa-hedral geometry. Each 3,5-bis-(pyridin-4-yl-methyl-amino)-ben ...[more]

PMID: 22064371

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catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822 (13)-2.8113 (13) Å. C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

catena-Poly[[[diaqua-cadmium(II)]-bis-[μ-3,5-bis-(isonicotinamido)benzoato]] tetra-hydrate].

Project description:The title compound, {[Cd(C(19)H(13)N(4)O(4))(2)(H(2)O)(2)]·4H(2)O}(n) or {[Cd(BBA)(2)(H(2)O)(2)]·4H(2)O}(n), where BBA is 3,5-bis-(iso-nicotin-amido)-benzoate, is isotypic with its Mn isologue [Chen et al. (2009 ▶). J. Coord. Chem.62, 2421-2428]. The cation sits on a twofold axis and is six-coordinated in a slightly distorted octa-hedral geometry; the polyhedra are linked into zigzag chains, which are further connected by N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds as well as π-π inter-actions [centroid-centroid distance of 3.639 (2) Å], giving a three-dimensional supra-molecular framework.

| S-EPMC2983169 | biostudies-literature

catena-Poly[[[diaqua-[3-(pyridin-4-yl)benzoato-?(2)O,O']gadolinium(III)]-bis-[?-3-(pyridin-4-yl)benzoato-?(2)O:O']] monohydrate].

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Diaqua-bis(4-methyl-benzoato-?O)bis-(nicotinamide-?N)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(8)H(7)O(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion center. The mol-ecule contains two 4-methyl-benzoate (PMB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 26.15?(10)°, while the pyridine and benzene rings are oriented at a dihedral angle of 87.81?(4)°. In the crystal structure, inter-molecular O-H?O and N-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. The ?-? contact between the benzene rings [centroid-centroid distance = 3.896?(1)?Å] may further stabilize the crystal structure. A weak C-H?? inter-action involving the pyridine ring also occurs.

| S-EPMC2984063 | biostudies-literature

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Project description:The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

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catena-Poly[bis-(?(3)-2-methyl-benzoato)disilver(I)].

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| S-EPMC3120433 | biostudies-literature

catena-Poly[bis-(?(3)-2-methyl-3,5-dinitro-benzoato)disilver(I)].

Project description:In the title coordination polymer, [Ag(2)(C(8)H(5)N(2)O(6))(2)](n), the silver ion is coordinated to three O atoms from three different anions in an approximate T-shape with one bond much longer than the other two. The polyhedral connectivity leads to [100] chains containing alternating centrosymmetric four-rings and eight-rings, with a short d(10)?d(10) Ag?Ag interaction [2.8846?(4)?Å] across the latter. The nitro groups are oriented at dihedral angles of 21.2?(5) and 64.3?(3)° with respect to the aromatic ring of the ligand. A C-H?O inter-action occurs in the crystal.

| S-EPMC3151878 | biostudies-other

catena-Poly[[diaqua-cobalt(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.

| S-EPMC2977626 | biostudies-literature

catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-?O]manganese(II)]-?-aqua] dihydrate].

Project description:In the crystal structure of the title complex, {[Mn(C(11)H(14)NO(2))(2)(H(2)O)(3)]·2H(2)O}(n), the two independent Mn(II) atoms are located on a centre of symmetry and coordinated by two 4-(diethyl-amino)benzoate (DEAB) anions and two water mol-ecules in the basal plane while another water mol-ecule bridges the Mn atoms in the apical directions, forming polymeric chains. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.33?(13) and 10.90?(9)° and the benzene rings are oriented at a dihedral angle of 67.88?(6)°. The uncoordinated water mol-ecules link the carboxyl-ate groups and coordinated water mol-ecules via O-H?O hydrogen bonding. Weak C-H?? inter-actions are also found in the crystal structure.

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catena-Poly[[diaqua-nickel(II)]-bis-(μ-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetato)].

Project description:In the title compound, [Ni(C(9)H(6)N(3)O(3)S)(2)(H(2)O)(2)](n), the Ni(II) atom, located on an inversion center, is ligated in an octa-hedral geometry by two carboxyl-ate O atoms from two 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfan-yl}acetate (L) ligands and two O atoms from water mol-ecules in the equatorial plane, and two pyridine N atoms from other two L ligands at the apical sites. Two L ligands bridge pairs of metal atoms in an anti-parallel manner, forming centrosymmetric dinuclear quasi-recta-ngular units which are linked into infinite double-stranded chains parallel to [100]. O-H⋯O hydrogen bonds between the coordinating water mol-ecules and the carboxyl-ate groups of the L ligand as well as interchain S⋯N inter-actions [2.726 (2)-3.363 (2) Å] lead to the formation of a layer structure parallel to (001).

| S-EPMC3379099 | biostudies-literature

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