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Bis(3-carb-oxy-5-nitro-benzoato)bis-[2-(pyridin-4-yl)-1H-imidazo[4,5-f][1,10]phenanthroline]manganese(II).

ABSTRACT: In the title compound, [Mn(C(8)H(4)NO(6))(2)(C(18)H(11)N(5))(2)], the Mn(II) atom is six-coordinated by two N,N'-bidentate 6-(pyridin-4-yl)-5H-cyclo-penta-[f][1,10]phenanthroline (pcp) ligands and two carboxyl-ate O atoms from two monodentate 3-carb-oxy-5-nitro-benzoate anions in a distorted cis-MnO(2)N(4) octa-hedral arrangement. Within the pcp ligands, the dihedral angles between the polycyclic skeletons and pendant pyridine rings are 6.2?(2) and 8.3?(2)°. In the crystal, mol-ecules are linked by O-H?N and N-H?O hydrogen bonds. Several aromatic ?-? stacking inter-actions [shortest centroid-centroid separation = 3.516?(3)?Å] are also observed.

SUBMITTER: Xu HB

PROVIDER: S-EPMC3052015 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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Bis(3-carb-oxy-5-nitro-benzoato)bis-[2-(pyridin-4-yl)-1H-imidazo[4,5-f][1,10]phenanthroline]manganese(II).

Xu Hong-Bin HB Ma Shuai S He Yu Y

Acta crystallographica. Section E, Structure reports online 20110212 Pt 3

In the title compound, [Mn(C(8)H(4)NO(6))(2)(C(18)H(11)N(5))(2)], the Mn(II) atom is six-coordinated by two N,N'-bidentate 6-(pyridin-4-yl)-5H-cyclo-penta-[f][1,10]phenanthroline (pcp) ligands and two carboxyl-ate O atoms from two monodentate 3-carb-oxy-5-nitro-benzoate anions in a distorted cis-MnO(2)N(4) octa-hedral arrangement. Within the pcp ligands, the dihedral angles between the polycyclic skeletons and pendant pyridine rings are 6.2 (2) and 8.3 (2)°. In the crystal, mol-ecules are linked ...[more]

PMID: 21522257

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Bis(?-4-nitro-phthalato)bis-[diaqua-(1,10-phenanthroline)manganese(II)].

Project description:In the title compound, [Mn(2)(C(8)H(3)NO(6))(2)(C(12)H(8)N(2))(2)(H(2)O)(4)], the Mn(II) atom in the centrosymmetric binuclear unit has a distorted octa-hedral geometry and is coordinated by a chelating 1,10-phenanthroline ligand, two monodentate carboxyl-ate anions from two 4-nitro-phthalates and two coordinated water mol-ecules. The two Mn(II) ions in the mol-ecule are bridged by two 4-nitro-phthalate anions, both in a bis-monodentate mode, which finally leads to the formation of the binuclear unit. Intra-molecular O-H?O hydrogen bonds between the coordinated and uncoordinated O atoms of one monodentate carboxyl-ate group and the corresponding coordinated water mol-ecules result in an eight-membered and two six-membered rings. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the dinuclear mol-ecules into supra-molecular chains propagating parallel to [100].

| S-EPMC2977488 | biostudies-literature

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Project description:The title mol-ecule, C(13)H(8)N(4), is is essentially planar [r.m.s. deviation for all non-H atoms = 0.025?(3)?Å]. In the crystal, mol-ecules are connected through one weak bifurcated N-H?(N,N) hydrogen bond and three ?-? stacking inter-actions between pyridine and imidazole rings [centroid-centroid distance = 3.631?(8)?Å] and between pyridine and benzene rings [centroid-centroid distances = 3.675?(5) and 3.666?(2)?Å].

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Project description:In the title compound, [Pb(NO(3))(2)(C(13)H(8)N(4))(2)], the Pb(II) atom (site symmetry 2) is hexa-coordinated by four N atoms from two N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline (L) ligands and two O atoms from two weakly coordinated nitrate ions [Pb-O = 2.872?(5)?Å] in an irregular arrangement, which may be ascribed to the stereochemically active lone pair of electrons on the metal ion. In the crystal, inter-molecular bifurcated N-H?(O,O) hydrogen bonds connect the mol-ecules into chains propagating along [100]. Adjacent chains inter-act by strong aromatic ?-? stacking inter-actions, with a centroid-centroid distance of 3.483?(2)?Å.

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Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(2-hydroxy-benzoato-?O)manganese(II) 2,9-dimethyl-1,10-phenanthroline hemisolvate.

Project description:In the asymmetric unit of the title complex, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·0.5C(14)H(12)N(2), the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) mol-ecule, one water mol-ecule and two monodentate 2-hydroxy-benzoate anions in a distorted trigonal-bipyramidal geometry. The OH group of the 2-hydroxy-benzoate anion is disordered over two positions with site-occupancy factors of 0.5. The asymmetric unit is completed with by an uncoordinated half-mol-ecule of dmphen, disordered about a crystallographic twofold axis. In the crystal structure, mol-ecules are linked into a two-dimensional framework by O-H?N, O-H?O and C-H?O hydrogen bonds. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with centroid-centroid separations of 3.8027?(3) and 3.6319?(3)?Å.

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(4-Carb-oxy-2-sulfonato-benzoato-?O,O)bis-(1,10-phenanthroline-?N,N')manganese(II).

Project description:In the title complex, [Mn(C(8)H(4)O(7)S)(C(12)H(8)N(2))(2)], the Mn(II) atom is chelated by one 4-carb-oxy-2-sulfonato-benzoate anion and two phenathroline (phen) ligands in a distorted octa-hedral MnN(4)O(2) geometry. The benzene ring of the 4-carb-oxy-2-sulfonato-benzoate anion is twisted with respect to the two phen ring systems at dihedral angles of 66.38?(9) and 53.56?(9)°. In the crystal, inter-molecular O-H?O and C-H?O hydrogen bonding links the mol-ecules into chains running parallel to [100]. Inter-molecular ?-? stacking is also observed between parallel phen ring systems, the face-to-face distance being 3.432?(6)?Å.

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Di-?-sulfato-?O:O'-bis-[diaqua-(1H-imidazo[4,5-f][1,10]phenanthroline)manganese(II)] dihydrate.

Project description:In the title centrosymmetric dinuclear compound, [Mn(2)(SO(4))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, the Mn(II) atom is octa-hedrally coordinated by two N atoms from a 1H-imidazo[4,5-f][1,10]phenanthroline (ip) ligand, two O atoms belonging to two bridging sulfate anions and two water O atoms. In the crystal structure, the complex mol-ecules and the uncoodinated water mol-ecules are connected by O-H?O, O-H?N and N-H?O hydrogen bonds into a three-dimensional network. A ?-? stacking inter-action between the pyridyl ring of the ip ligand and the benzene ring of the neighboring ligand [centroid-centroid distance = 3.579?(2)?Å] is also observed.

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catena-Poly[(?(2)-3-carb-oxy-5-nitro-benzoato)(?(3)-5-nitro-benzene-1,3-dicarboxyl-ato)(1,10-phenanthroline)gadolinium(III)].

Project description:The crystal structure of the title complex, [Gd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(C(12)H(8)N(2))](n), contains polymeric chains made up of Gd(III) atoms, 1,10-phenanthroline and fully or half-deproton-ated 5-nitro-benzene-1,3-dicarb-oxy-lic acid (H(2)L) ligands. The Gd(III) atom is coordinated in a distorted bicapped trigonal-prismatic fashion by six O atoms from two HL(-) and three L(2-) ligands, and by two N atoms from the 1,10-phenanthroline ligand. The L(2-) ligands bridge the Gd-phenanthroline units, forming chains running parallel to [100]. O-H?O hydrogen bonding as well as ?-? stacking inter-actions with an inter-planar distance of 3.599?(2)?Å assemble neighboring polymeric chains.

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Aqua-(2,9-dimethyl-1,10-phenanthroline-?N,N')bis-(3-hydroxy-benzoato-?O)manganese(II)-2,9-dimethyl-1,10-phenanthroline-water (1/1/1).

Project description:In the title compound, [Mn(C(7)H(5)O(3))(2)(C(14)H(12)N(2))(H(2)O)]·C(14)H(12)N(2)·H(2)O, the Mn(II) ion is coordinated by a bidentate 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand, two monodentate 3-hydroxy-benzoate anions (3-HBA) and one water mol-ecule in a distorted trigonal-bipyramidal environment. An uncoordinated dmphen and an uncoordinated water mol-ecule cocrystallized with each complex mol-ecule. Intra- and inter-molecular O-H?N and O-H?O hydrogen bonds are also present between the coordinated 3-HBA and water mol-ecules and the uncoordinated dmphen and water mol-ecules in the crystal. The packing of the structure is further stabilized by ?-? stacking inter-actions involving dmphen mol-ecules, with a centroid-centroid separation of 3.705?(3)?Å.

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Di-?-sulfato-?O:O'-bis-[diaqua-(1H-imidazo[4,5-f][1,10]phenanthroline-?N,N)cobalt(II)] dihydrate.

Project description:In the centrosymmetric dinuclear title compound, [Co(2)(SO(4))(2)(C(13)H(8)N(4))(2)(H(2)O)(4)]·2H(2)O, the Co(II) atom is coord-in-ated by two N atoms from two 1H-imidazo[4,5-f][1,10]phenanthroline ligands, two O atoms from two sulfate anions and two O atoms from water mol-ecules in a distorted octa-hedral geometry. The Co?Co separation is 5.1167?(7)?Å. The coordinated and uncoordinated water mol-ecules engage in N-H?O and O-H?O hydrogen-bonding inter-actions.

| S-EPMC2977338 | biostudies-literature

Diaqua-(2,6-dihy-droxy-benzoato-?O,O)bis-(2,6-dihy-droxy-benzoato-?O)bis-(1,10-phenanthroline-?N,N')lanthanum(III)-1,10-phenanthroline (1/1).

Project description:In the title compound, [La(C(7)H(5)O(4))(3)(C(12)H(8)N(2))(3)(H(2)O)(2)]·C(12)H(8)N(2), the La(III) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, four O atoms from three 2,6-dihy-droxy-benzoate (DHB) anions (one monodentate, the other bidentate) and two water O atoms, completing a distorted LaN(4)O(6) bicapped square-anti-prismatic geometry. Within the mononuclear complex mol-ecule, intra-molecular ?-? stacking inter-actions are observed, the first between a coordinated phen mol-ecule and a DHB ligand [centroid-centroid distance = 3.7291?(16)?Å], and the second between a coordinated phen mol-ecule and an uncoordinated phen ligand [centroid-centroid distance = 3.933?(2)?Å]. Inter-molecular ?-? stacking is observed between adjacent complexes [inter-planar distance = 3.461?(3)?Å]. Intra- and inter-molecular O-H?O hydrogen bonds are observed in the DHB ligands and between a water mol-ecule and DHB ligands, respectively. O-H?N hydrogen bonds are also observed in the DHB ligands and between uncoordinated phen mol-ecules and aqua ligands.

| S-EPMC3011687 | biostudies-literature

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