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Bis{2-[(pyridin-2-yl)methyl-idene-amino]-benzoato-?(3) N,N',O}chromium(III) nitrate monohydrate.

ABSTRACT: The title complex salt hydrate, [Cr(C13H9N2O2)2]NO3·H2O, comprises discrete cations, nitrate anions and solvent water mol-ecules. The Cr(III) atom is octa-hedrally coordinated by two anionic Schiff base ligands with the O atoms being cis. The two ligands differ significantly with dihedral angles between the pyridine and benzene rings of 4.8?(2) and 24.9?(2)°. The nitrate anion and solvent water mol-ecule were modelled as being disordered, with the major components having site-occupancy values of 0.856?(14) and 0.727?(16), respectively. The crystal is built of alternating layers of cations and of anions plus water mol-ecules, stacked along the c axis.

SUBMITTER: Buvaylo EA

PROVIDER: S-EPMC3998614 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Bis{2-[(pyridin-2-yl)methyl-idene-amino]-benzoato-κ(3) N,N',O}chromium(III) nitrate monohydrate.

Buvaylo Elena A EA Kokozay Vladimir N VN Vassilyeva Olga Yu OY Skelton Brian W BW

Acta crystallographica. Section E, Structure reports online 20140315 Pt 4

The title complex salt hydrate, [Cr(C13H9N2O2)2]NO3·H2O, comprises discrete cations, nitrate anions and solvent water mol-ecules. The Cr(III) atom is octa-hedrally coordinated by two anionic Schiff base ligands with the O atoms being cis. The two ligands differ significantly with dihedral angles between the pyridine and benzene rings of 4.8 (2) and 24.9 (2)°. The nitrate anion and solvent water mol-ecule were modelled as being disordered, with the major components having site-occupancy values of ...[more]

PMID: 24826098

Similar Datasets

Crystal structure of bis-(acetato-κ2O,O')di-aqua-[1-(pyridin-2-yl-methyl-idene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN1]terbium(III) nitrate monohydrate.

Project description:In the title compound, [Tb(C2H3O2)2(C11H10N4)(H2O)2]NO3·H2O, the Tb3+ ion is nine-coordinated in a distorted tricapped trigonal-prismatic geometry by the three N atoms of the tridentate 1-(pyridin-2-yl-methyl-idene)-2-(pyridin-2-yl)hydrazine ligand, four carboxyl-ate O atoms of two chelating acetate groups and two O atoms of the coordinating water mol-ecules. The organic hydrazine ligand is disordered over two orientations with a refined occupancy ratio of 0.52 (3):0.48 (3). All bond lengths in the coordination environment of the Tb3+ ion are slightly larger than those observed in the isostructural Y3+ and Er3+ complexes. In the crystal, the complex cations are linked by pairs of O-H⋯O hydrogen bonds into dimers. These dimers, nitrate anions and non-coordinating water mol-ecules are joined by O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional structure.

| S-EPMC5598831 | biostudies-literature

(Ethyl-enediamine-κ(2)N,N)bis[2-(pyridin-2-yl-κN)-1,3-imidazol-1-ido-κN(1)]cobalt(III) nitrate monohydrate.

Project description:In the title compound, [Co(C(8)H(6)N(3))(2)(C(2)H(8)N(2))]NO(3)·H(2)O, the Co(III) ion is coordinated by four N atoms from two 2-(pyridin-2-yl)-1,3-imidazol-1-ide ligands and two N atoms of ethyl-enediamine in a distorted octa-hedral geometry. In the crystal, classical N-H⋯N(O) and O-H⋯N(O) hydrogen bonds connect all the isolated components together to yield a three-dimensional structure.

| S-EPMC3435583 | biostudies-literature

Bis(isonicotinamide-κN)bis-[4-(methyl-amino)benzoato]zinc(II) monohydrate.

Project description:In the title Zn(II) complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)]·H(2)O, the Zn atom is coordinated by two 4-methyl-amino-benzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry; one of the MAB ions acts as a bidentate ligand while the other MAB and the two INA are monodentate ligands. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 8.52 (22) and 5.10 (14)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonding links the mol-ecules into a supra-molecular structure. Weak inter-molecular C-H⋯O inter-actions are also present.

| S-EPMC2970957 | biostudies-literature

Bis[4-chloro-N'-(2-pyridyl-methyl-idene)benzohydrazidato]cobalt(III) nitrate sesquihydrate.

Project description:In the title compound, [Co(C(13)H(9)ClN(3)O)(2)]NO(3)·1.5H(2)O, the central Co(3+) atom in the cation is coordinated by four N and two O atoms from the two tridentate ligands in a distorted octa-hedral fashion. In the crystal, the cobalt complex cations are linked to the half-occupied and the fully occupied water mol-ecules, and the nitrate anion via classical inter-molecular O-H?O and O-H?N hydrogen bonds and weak C-H?O contacts.

| S-EPMC3011380 | biostudies-literature

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

Project description: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.

| S-EPMC3201333 | biostudies-other

Diaqua-bis-{2-hy-droxy-5-[(pyridin-2-yl)methyl-idene-amino]-benzoato-?N,N'}zinc(II) dihydrate.

Project description:The complex mol-ecule of the title compound, [Zn(C(13)H(9)N(2)O(3))(2)(H(2)O)(2)]·2H(2)O, has 2 symmetry with the Zn(II) cation located on a twofold rotation axis. The Zn cation is N,N'-chelated by two 5-[(pyridin-2-yl)methyl-idene-amino]-2-hy-droxy-benzoate anions and coordinated by two water mol-ecules in a distorted octa-hedral geometry. Within the anionic ligand, the pyridine ring is oriented at a dihedral angle of 49.54?(10)° with respect to the benzene ring. The carboxyl-ate group of the anionic ligand is not involved in coordination but is O-H?O hydrogen bonded to the coordinated and uncoordinated water mol-ecules. Weak inter-molecular C-H?O hydrogen bonding is also present in the crystal structure.

| S-EPMC3011778 | biostudies-literature

N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]benzohydrazide monohydrate.

Project description:The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286 (2) Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02 (3)°] and the phenyl ring exhibits a dihedral angle of 14.41 (10)° with respect to the central unit. The crystal structure features O-H⋯N, N-H⋯O and O-H⋯O hydrogen-bond inter-actions between the solvent water and the benzohydrazide mol-ecules, as well as C-H⋯O hydrogen bonds and C-F⋯π [3.0833 (18) Å] inter-actions.

| S-EPMC3435726 | biostudies-literature

{4,6-Bis[(E)-1-methyl-2-(pyridin-2-yl-methyl-idene-?N)hydrazinyl-?N]pyrimidine-?N}dichloridocopper(II) methanol disolvate monohydrate.

Project description:The title compound, [CuCl(2)(C(18)H(18)N(8))]·2CH(3)OH·H(2)O, contains a penta-coordinated Cu(II) atom bonded to the tridentate 4,6-bis-[(E)-1-methyl-2-(pyridin-2-yl-methyl-idene)hydrazin-yl]pyrimidine ligand and two Cl atoms. The geometry around the Cu(II) atom is distorted square-pyramidal. The mol-ecules pack in the crystal structure via O-H?Cl, O-H?N, C-H?Cl and C-H?O hydrogen bonds, C-H?? and ?-? inter-actions [centroid-centroid distances of the pyrimidine-pyridine and pyridine-pyridine inter-actions are 3.750?(3) and 3.850?(3)?Å, respectively], forming sheet-like assemblies.

| S-EPMC3212151 | biostudies-literature

Crystal structure of aqua-bis-[4-(methyl-sulfan-yl)benzoato-κO](1,10-phenanthroline-κ(2) N,N')copper(II) monohydrate.

Project description:In the title compound, [Cu(C8H7O2S)2(C12H8N2)(H2O)]·H2O, the central Cu(II) atom is five-coordinated in a slightly distorted square-pyramidal environment by two N atoms from a 1,10-phenanthroline ligand, one O atom from the carboxylate group of one 4-(methyl-sulfan-yl)benzoate anion and one water O atom in the equatorial plane while the apical position is occupied by the O atom of a carboxylate group of the second anion. In the crystal, a three-dimensional supra-molecular network is formed through weak inter-molecular C-H⋯O and C-H⋯S inter-actions and π-stacking between the 1,10-phenanthroline ligand and the aromatic rings of symmetry-related 4-(methyl-sulfan-yl)benzoate ligands.

| S-EPMC4571371 | 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].

Project description:In the title coordination polymer, {[Gd(C(12)H(8)NO(2))(3)(H(2)O)(2)]·H(2)O}(n), the Gd(III) ion is ligated by one bidentate carboxyl-ate group, four monodentate bridging carboxyl-ate O atoms and two water mol-ecules. The resulting GdO(8) polyhedron approximates to a square anti-prism. The bridging ligands link the metal ions into a [100] chain, with each pair of adjacent metal ions being bridged by two ligands. Inter-chain O-H?O and O-H?N hydrogen bonds help to establish the packing.

| S-EPMC3393192 | biostudies-other

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