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Poly[diaquadi-?-hydroxido-?(4)O:O-dinitrato-?(4)O:O'-bis-[3-(pyridin-4-yl-?N)-5-(pyridin-3-yl)-1,2,4-oxadiazole]dicopper(II)].

ABSTRACT: The title compound, [Cu(2)(NO(3))(2)(OH)(2)(C(12)H(8)N(4)O)(2)(H(2)O)(2)](n), consists of a neutral polymeric Cu(II) complex in which each Cu(II) atom has a distorted octa-hedral geometry defined by a pyridyl N atom from a 3-(pyridin-3-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole ligand and five O atoms from a water mol-ecule, two nitrates and two hydroxides. Two Cu(II) ions are bridged by two hydroxide anions resulting in a Cu(2)O(2) loop, located across an inversion center and connected by the nitrate anions into a broad two-dimensional polymeric structure parallel to (100). In the crystal, there are O-H?O hydrogen bonds between the coodinated water mol-ecule and the nitrate and hydroxide, and between the hydroxide and the nitrate. Inter-molecular ?-? inter-actions are present between pyridine rings in adjacent two-dimensional structures, with a centroid-centroid distance of 3.582?(2)?Å.

PROVIDER: S-EPMC3343826 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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catena-Poly[[[di-aqua-bis-[1,2-bis-(pyridin-4-yl)diazene]copper(II)]-?-1,2-bis-(pyridin-4-yl)diazene] bis-(perchlorate)].

Project description:In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2} n , the coordination environment of the cationic Cu(II) atom is distorted octa-hedral, formed by pairs of symmetry-equivalent 1,2-bis-(pyridin-4-yl)diazene ligands, bridging 1,2-bis-(pyridin-4-yl)diazene ligands and two non-equivalent water mol-ecules. The 1,2-bis-(pyridin-4-yl)diazene mol-ecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the Cu(II) atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536?(9):0.464?(9) ratio and are acceptors of water H atoms in medium-strong O-H?O hydrogen bonds with graph set R 4 (4)(12). The water mol-ecules, which are coordinated to the Cu(II) atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A ?-? inter-action [centroid-centroid distance = 3.913?(2)?Å] occurs between pyridine rings, and weak C-H?O inter-actions also occur.

2013-01-01 | S-EPMC3684881 | BioStudies

catena-Poly[[dichloridomercury(II)]-?-{N-[(E)-pyridin-2-yl-methyl-idene-?N]pyridin-3-amine-?(2)N(1):N(3)}].

Project description:In the title coordination polymer, [HgCl(2)(C(11)H(9)N(3))](n), the Hg(II) ion is coordinated by three N atoms from two N-[(E)-pyridin-2-yl-methyl-idene]pyridin-3-amine (L) ligands and two chloride anions in a distorted trigonal-bipyramidal geometry. The two pyridine rings in L form a dihedral angle of 50.0?(2)°. L ligands bridge adjacent HgCl(2) units into polymeric chains propagating in [010]. The crystal packing is further stabilized by weak inter-molecular C-H?Cl hydrogen bonds and ?-? inter-actions between the pyridine rings, with a centroid-centroid separation of 3.529?(9)?Å.

2012-01-01 | S-EPMC3470133 | BioStudies

catena-Poly[[[iodidocopper(I)]-{?-N-[(pyridin-2-yl-?N)methyl-idene]pyridin-3-amine-?(2)N(3):N(1)}] acetonitrile hemisolvate].

Project description:In the asymmetric unit of the title polymeric complex, {[CuI(C(11)H(9)N(3))]·0.5CH(3)CN}(n), there are two Cu(I) atoms, two N-[(pyridin-2-yl-?N)methyl-idene]pyridin-3-amine (PyPy) ligands and two I atoms. Both Cu(I) atoms have a distorted tetra-hedral geometry, each being coordinated by one I atom, two N atoms of one PyPy ligand and one N atom from an adjacent PyPy ligand. In the crystal, infinite helical chains of [Cu(2)(PyPy)(2)](n) are formed propagating along the b axis. These chains are linked via weak C-H?I hydrogen bonds and ?-? stacking inter-actions [shortest centroid-centroid distance = 3.2727?(14)?Å]. During the refinement, electron-density peaks were located that were believed to be highly disordered solvent mol-ecules (possibly acetonitrile). The SQUEEZE option in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155] indicated there were solvent cavities with a total volume of 196?Å(3) containing approximately 60 electrons per unit cell, which equated to one mol-ecule of acetonitrile per asymmetric unit.

| S-EPMC3470156 | BioStudies

catena-Poly[[tetra-?-benzoato-?(8)O:O'-dicopper(II)]-?-[N-(pyridin-4-yl)nicotin-amide]-?(2)N:N'-[dibenzoato-?(2)O-copper(II)]-?-[N-(pyridin-4-yl)nicotin-amide]-?(2)N:N'].

Project description:In the polymeric title compound, [Cu(3)(C(7)H(5)O(2))(6)(C(11)H(9)N(3)O)(2)](n), square-planar-coordinated Cu(II) ions on crystallographic inversion centres are bound by two monodentate benzoate anions. The resulting [Cu(benzoate)](2) fragments are joined to centrosymmetic [Cu(2)(benzoate)(4)] paddlewheel clusters [Cu?Cu = 2.6331?(5)?Å] by means of bridging N-(pyridin-4-yl)nicotinamide (4-pna) ligands [dihedral angle between the aromatic rings = 39.18?(12)°], thereby forming [Cu(3)(benzoate)(6)(4-pna)(2)](n) coordination-polymer chains that are arranged parallel to the [30-1] crystal direction. These polymeric chains are anchored into supra-molecular layers by N-H?O hydrogen bonding between neighboring 4-pna ligands. These layers aggregate by crystal packing forces to afford the crystal structure of the title compound.

| S-EPMC3414118 | BioStudies

Aqua-trinitrato[2,4,6-tris-(pyridin-2-yl)-1,3,5-triazine]neodymium(III) dihydrate.

Project description:In the title compound, [Nd(NO(3))(3)(C(18)H(12)N(6))(H(2)O)]·2H(2)O, the Nd(3+) ion is in a distorted bicapped square-anti-prismatic geometry formed by three N atoms from the 2,4,6-tris-(pyridin-2-yl)-1,3,5-triazine (TPTZ) ligand, six O atoms from the three nitrate anions and one O atom from the aqua ligand. The mol-ecules are linked by O-H?O and O-H?N hydrogen bonds. Two types of ?-? stacking inter-actions occur between the TPTZ ligands of adjacent complexes [centroid-to-centroid distances = 3.760?(4) and 3.870?(3)?Å].

2011-01-01 | S-EPMC3120505 | BioStudies

Crystal structures of bis- and hexakis[(6,6'-di-hydroxy-bipyridine)copper(II)] nitrate coordination complexes.

Project description:Two multinuclear complexes synthesized from Cu(NO3)2 and 6,6'-di-hydroxy-bipyridine (dhbp) exhibit bridging nitrate and hydroxide ligands. The dinuclear complex (6,6'-di-hydroxy-bipyridine-2?(2) N,N')[?-6-(6-hy-droxy-pyridin-2-yl)pyridin-2-olato-1:2?(3) N,N':O (2)](?-hydroxido-1:2?(2) O:O')(?-nitrato-1:2?(2) O:O')(nitrato-1?O)dicopper(II), [Cu2(C10H7N2O2)(OH)(NO3)2(C10H8N2O2)] or [Cu(6-OH-6'-O-bpy)(NO3)(?-OH)(?-NO3)Cu(6,6'-dhbp)], (I), with a 2:1 ratio of nitrate to hydroxide anions and one partially deprotonated dhbp ligand, forms from a water-ethanol mixture at neutral pH. The hexa-nuclear complex bis-(?3-bi-pyridine-2,2'-diolato-?(3) O:N,N':O')tetra-kis-(6,6'-di-hydroxy-bipyridine-?(2) N,N')tetra-kis-(?-hydroxido-?(2) O:O')bis-(methanol-?O)tetra-kis-(?-nitrato-?(2) O:O')hexa-copper(II), [Cu6(C10H6N2O2)2(CH4O)2(OH)4(NO3)4(C10H8N2O2)4] or [Cu(6,6'-dhbp)(?-NO3)2(?-OH)Cu(6,6'-O-bpy)(?-OH)Cu(6,6'dhbp)(CH3OH)]2, (II), with a 1:1 NO3-OH ratio and two fully protonated and fully deprotonated dhbp ligands, was obtained by methanol recrystallization of material obtained at pH 3. Complex (II) lies across an inversion center. Complexes (I) and (II) both display intra-molecular O-H?O hydrogen bonding. Inter-molecular O-H?O hydrogen bonding links symmetry-related mol-ecules forming chains along [100] for complex (I) with ?-stacking along [010] and [001]. Complex (II) forms inter-molecular O-H?O hydrogen-bonded chains along [010] with ?-stacking along [100] and [001].

2015-01-01 | S-EPMC4719811 | BioStudies

Crystal structure of the coordination polymer catena-poly[[bis-[hy-droxy(phen-yl)acetato-?2 O 1,O 2]zinc(II)]-?2-1,2-bis-(pyridin-4-yl)ethane-?2 N:N'].

Project description:In the title polymeric ZnII compound, [Zn(C8H7O3)2(C12H12N2)] n , the Zn cation is coordinated by two N atoms from 1,2-bis-(pyridin-4-yl)ethane unit and four O atoms from two mandelate [or hy-droxy(phen-yl)acetate] anions in a slightly distorted octa-hedral coordination geometry. The 1,2-bis-(pyridin-4-yl)ethane unit bridges two ZnII cations, related by an inversion centre, to form a polymeric chain along [110]. The crystal structure features extensive O-H?O and weak C-H ?O hydrogen bonds, with C-H ? ? inter-actions and ?-? inter-actions also being present. The centroid-centroid distance between the phenyl ring of the mandelate group and the 1,2-bis-(pyridine-4-yl)ethane moiety is 4.951?(2)?Å. The 1,2-bis-(pyridin-4-yl)ethane ligand is disordered over two positions, with a refined occupancy of 0.578?(14) for the major component.

| S-EPMC7784659 | BioStudies

Crystal structure of an HgII coordination polymer with an unsymmetrical dipyridyl ligand: catena-poly[[[di-chlorido-mercury(II)]-?-N-(pyridin-4-ylmeth-yl)pyridin-3-amine-?2N:N'] chloro-form hemisolvate].

Project description:The asymmetric unit of the title compound, {[HgLCl2]·0.5CHCl3} n (L = N-(pyridin-4-ylmeth-yl)pyridin-3-amine, C11H11N3), contains one HgII ion, one bridging L ligand, two chloride ligands and a chloro-form solvent mol-ecule with half-occupancy that is disordered about a crystallographic twofold rotation axis. Each HgII ion is coordinated by two pyridine N atoms from two symmetry-related L ligands and two chloride anions in a highly distorted tetra-hedral geometry with bond angles falling in the range 99.05?(17)-142.96?(7)°. Each L ligand bridges two HgII ions, forming polymeric zigzag chains propagating in [010]. In the crystal, the chains are linked by inter-molecular N/C-H?Cl hydrogen bonds together with weak C-H?? inter-actions, resulting in the formation of a three-dimensional supra-molecular network, which is further stabilized by C-Cl?? inter-actions between the solvent chloro-form mol-ecules and the pyridine rings of L [chloride-to-centroid distances = 3.442?(11) and 3.626?(13)?Å]. In addition, weak Cl?Cl contacts [3.320?(5)?Å] between the chloro-form solvent mol-ecules and the coordinating chloride anions are also observed.

2016-01-01 | S-EPMC5095822 | BioStudies

Crystal structure of bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]bis-(thio-cyanato-?S)copper(II).

Project description:The mononuclear title complex, [Cu(SCN)2(C12H8N4S)2], was obtained by the reaction of 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole and potassium thio-cyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by the S atoms of two thio-cyanate anions. The thia-diazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190?(2)?Å. The cohesion of the crystal structure is ensured by weak C-H?N hydrogen bonds and ?-? inter-actions between parallel pyridyl rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.663?(2)?Å], leading to a three-dimensional network.

2016-01-01 | S-EPMC4971866 | BioStudies

catena-Poly[copper(I)-bis-[?-3-(1H-imidazol-2-yl)pyridine]-copper(I)-di-?-iodido].

Project description:The title polymeric compound, [Cu(2)I(2)(C(8)H(7)N(3))(2)](n) [C(8)H(7)N(3) = 3-(1H-imidazol-2-yl)pyridine (HIPy), where HIPy comes from the in situ deca-rboxylation of 2-(pyridin-3-yl)-1H-imidazole-4,5-dicarb-oxy-lic acid (H(3)PyIDC)], was obtained under solvo-thermal conditions. Each Cu(I) cation is in a distorted tetra-hedral coordination environment defined by two iodide anions and two nitro-gen atoms from two individual HIPy ligands. Two Cu(I) atoms are connected by two HIPy ligands to form a dimer and these dimers are further bridged through the iodide atoms, leading to a chain structure extending parallel to [100]. Moreover, inter-molecular N-H?I hydrogen bonds and weak ?-? stacking inter-actions [centroid?centroid distances of 3.809?(4)?Å, an inter-planar separation of 3.345?(3)?Å and a ring slippage of 1.822?Å] between pyridyl rings link the chains into a two-dimensional supra-molecular network in the ac plane.

| S-EPMC3200664 | BioStudies

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