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Aqua-(2,6-dihy-droxy-benzoato-?O(1))bis-(1,10-phenanthroline-?(2)N,N')manganese(II) 2,6-dihy-droxy-benzoate hemihydrate.

ABSTRACT: In the complex cation of the title compound, [Mn(C(7)H(5)O(4))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(5)O(4))·0.5H(2)O, the Mn(II) atom has a six-coordinate octa-hedral environment defined by one carboxyl-ate O atom belonging to a 2,6-dihy-droxy-benzoate (DHB) ligand, four N atoms from two chelating 1,10-phenanthroline mol-ecules and one water mol-ecule. The lattice water mol-ecule lies on a twofold rotation axis. Intra-molecular O-H?O hydrogen bonds are present in the DHB anions and complex cations. Inter-molecular O-H?O hydrogen bonds link two cations, two anions and one water mol-ecule into a dimer. ?-? inter-actions between the pyridine and benzene rings and between the benzene rings are also observed [centroid-centroid distances = 3.7774?(16), 3.7912?(16) and 3.7310?(17)?Å].

SUBMITTER: Li Q

PROVIDER: S-EPMC3379126 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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Aqua-(2,6-dihy-droxy-benzoato-κO(1))bis-(1,10-phenanthroline-κ(2)N,N')manganese(II) 2,6-dihy-droxy-benzoate hemihydrate.

Li Quanwei Q He Li L Jin Hongxiao H

Acta crystallographica. Section E, Structure reports online 20120526 Pt 6

In the complex cation of the title compound, [Mn(C(7)H(5)O(4))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(5)O(4))·0.5H(2)O, the Mn(II) atom has a six-coordinate octa-hedral environment defined by one carboxyl-ate O atom belonging to a 2,6-dihy-droxy-benzoate (DHB) ligand, four N atoms from two chelating 1,10-phenanthroline mol-ecules and one water mol-ecule. The lattice water mol-ecule lies on a twofold rotation axis. Intra-molecular O-H⋯O hydrogen bonds are present in the DHB anions and complex cations. I ...[more]

PMID: 22719347

Similar Datasets

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

Bis(μ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

Project description:In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Å between two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

| S-EPMC3006915 | biostudies-literature

?-2,5-Dihy-droxy-terephthalato-bis-[tri-aqua-(1,10-phenanthroline)zinc] dihy-droxy-terephthalate.

Project description:In the title compound, [Zn2(C8H4O6)(C12H8N2)2(H2O)6](C8H4O6), the complete ions of both the binuclear dication and the dianion are generated by crystallographic inversion symmetry. The Zn atom is bonded to an N,N'-bidentate phenanthroline ligand, three water moleules and an O-mono-denate 2,5-dihy-droxy-terephthalate dianion. In the resulting distorted octa-hedral ZnN2O4 coordination poly-hedron, the water O atoms are in a mer orientation. Two intra-molecular O-H?O hydrogen bonds occur in the bridging 2,5-dihy-droxy-terephthalate dianion within the complex cation and also in the free dianion. An intra-molecular Ow-H?O (w = water) hydrogen bond also occurs within the dication. In the crystal, O-H?O hydrogen bonds link the component ions into a three-dimensional network.

| S-EPMC3588754 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-?O,O)(nitrato-?O,O')bis-(1,10-phenanthroline-?N,N')cerium(III).

Project description:The mononuclear title complex, [Ce(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(2)], is isostructural to other related lanthanide structures. The Ce atom is in a pseudo-bicapped square-anti-prismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy-droxy-benzoate (DHB) ligands and the other two from a nitrate anion. ?-? stacking inter-actions between phen and DHB ligands [centroid-centroid distances = 3.513?(3) and 3.762?(2)?Å] and phen and phen ligands [face-to-face separation = 3.423?(7)?Å] of adjacent complexes stabilize the crystal structure. Intra-molecular O-H?O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3050190 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-?O,O)(nitrato-?O,O')bis-(1,10-phenanthroline-?N,N')praseodymium(III).

Project description:The mononuclear title complex, [Pr(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(2)], is isostructural with related complexes of other lanthanides. The Pr(III) atom is in a pseudo-bicapped square-anti-prismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and six O atoms, four from two 2,6-dihy-droxy-benzoate (DHB) ligands and the other two from nitrate anions. ?-? stacking inter-actions between the phen and DHB ligands [centroid-centroid distances = 3.518?(2) and 3.778?(2)?Å] and the phen and phen ligands [face-to-face separation = 3.427?(6)?Å] of adjacent complexes stabilize the crystal structure. Intra-molecular O-H?O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3050355 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-?O,O)(nitrato-?O,O')bis-(1,10-phenanthroline-?N,N')samarium(III).

Project description:The title mononuclear complex, [Sm(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(2)], is isostructural with that of other lanthanides. The Sm atom is in a pseudo-bicapped square-anti-prismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy-droxy-benzoate (DHB) ligands and the other two from a nitrate anion. ?-? stacking inter-actions between phen and DHB ligands [centroid-centroid distance = 3.528?(4) and 3.812?(3)?Å], and phen and phen ligands [face-to-face separation = 3.420?(10)?Å] of adjacent complexes stabilize the crystal structure. Intra-molecular O-H?O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3011437 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-?O,O)(nitrato-?O,O')bis-(1,10-phenanthroline-?N,N')dysprosium(III).

Project description:In the mononuclear title complex, [Dy(C(7)H(5)O(4))(2)(NO(3))(C(12)H(8)N(2))(2)], the Dy(III) atom is in a distorted bicapped square-anti-prismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, four O atoms from two 2,6-dihy-droxy-benzoate (DHB) ligands and two O atoms from a nitrate anion. Inter-molecular ?-? stacking inter-actions between the phen and DHB ligands [centroid-centroid distances = 3.542?(4) and 3.879?(4)?Å] and between the pyridine and benzene rings of adjacent phen ligands [centroid-centroid distance = 3.751?(4)?Å] stabilize the crystal structure. Intra-molecular O-H?O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3011458 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-?O,O)(nitrato-?O,O')bis-(1,10-phenanthroline-?N,N')europium(III).

Project description:The title mononuclear complex, [Eu(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(2)], is isostructural with those of other lanthanides. The Eu atom is in a pseudo-bicapped square-anti-prismatic geometry, formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy-droxy-benzoate (DHB) ligands and the other two from a nitrate anion. ?-? stacking inter-actions between phen and DHB ligands [centroid-centroid distances = 3.5312?(19) and 3.8347?(16)?Å], and between phen and phen ligands [face-to-face separation = 3.433?(4)?Å] of adjacent complexes stabilize the crystal structure. Intra-molecular O-H?O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3011488 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-κO,O)(nitrato-κO,O')bis-(1,10-phenanthroline-κN,N')gadolinium(III).

Project description:In the mononuclear title complex, [Gd(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(2)], the Gd atom is in a pseudo-bicapped square-anti-prismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands and by six O atoms, four from two 2,6-dihy-droxy-benzoate (DHB) ligands and the other two from a nitrate anion. π-π stacking inter-actions between phen-DHB [centroid-centroid distances = 3.5334 (18) and 3.8414 (16) Å] and phen-phen [face-to-face separation = 3.4307 (17) Å] ligands of adjacent complex molecules stabilize the crystal structure. Intra-molecular O-H⋯O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3011409 | biostudies-literature

Bis(2,6-dihy-droxy-benzoato-κO,O)(nitrato-κO,O')bis-(1,10-phenanthroline-κN,N')neodymium(III).

Project description:In the mononuclear title complex, [Nd(C(7)H(5)O(4))(2)(NO(3))(C(12)H(8)N(2))(2)], the Nd(III) atom is in a distorted bicapped square-anti-prismatic geometry formed by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, four O atoms from two 2,6-dihy-droxy-benzoate (DHB) ligands and two O atoms from a nitrate anion. π-π stacking inter-actions between the phen and DHB ligands of adjacent complexes [centroid-centroid distances = 3.520 (6) and 3.798 (6) Å] stabilize the crystal structure. Intra-molecular O-H⋯O hydrogen bonds are observed in the DHB ligands.

| S-EPMC3009246 | biostudies-literature

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