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Tetra-kis(?(3)-2-{[1,1-bis-(hydroxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-methoxy-phenol-ato)tetra-nickel(II) tetra-hydrate.

ABSTRACT: The title complex, [Ni(4)(C(12)H(15)NO(4))(4)]·4H(2)O, has crystal-lographic fourfold inversion symmetry, with each Ni(II) ion coordinated in a slightly distorted square-pyramidal coordination environment and forming an Ni(4)O(4) cubane-like core. In the crystal structure, inter-molecular O-H?O hydrogen bonds connect complex and water mol-ecules to form a three-dimensional network. The O atom of one of the unique hydroxy-methyl groups is disordered over two sites, with the ratio of occupancies being approximately 0.79:0.21.

SUBMITTER: Guo Y

PROVIDER: S-EPMC2961190 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Tetra-kis(μ(3)-2-{[1,1-bis-(hydroxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-methoxy-phenol-ato)tetra-nickel(II) tetra-hydrate.

Guo Yujing Y Li Lianzhi L Liu Yan Y Dong Jianfang J Wang Daqi D

Acta crystallographica. Section E, Structure reports online 20080416 Pt 5

The title complex, [Ni(4)(C(12)H(15)NO(4))(4)]·4H(2)O, has crystal-lographic fourfold inversion symmetry, with each Ni(II) ion coordinated in a slightly distorted square-pyramidal coordination environment and forming an Ni(4)O(4) cubane-like core. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds connect complex and water mol-ecules to form a three-dimensional network. The O atom of one of the unique hydroxy-methyl groups is disordered over two sites, with the ratio of occupancies b ...[more]

PMID: 21202214

Similar Datasets

Crystal structure of tetra-kis-(?3-2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}phenolato)tetra-copper(II) ethanol monosolvate 2.5-hydrate.

Project description:The title compound, [Cu4(C11H13NO4)4]·CH3CH2OH·2.5H2O, is an electronically neutral tetra-nuclear copper(II) complex with a cubane-like Cu4O4 core. The complete molecule has point group symmetry 2. The phenol hy-droxy group and one of the three alcohol hy-droxy groups of each 2-{[tris-(hy-droxy-meth-yl)meth-yl]imino-meth-yl}phenol ligand are depro-ton-ated, while the secondary amine and the other two hy-droxy groups remain unchanged. The Cu(II) atoms in the Cu4O4 core are connected by four ?3-O atoms from the deprotonated alcohol hy-droxy groups. Each of the penta-coordinated Cu(II) ions has an NO4 distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu-N/O bond lengths span the range 1.902?(4)-1.955?(4)?Å, similar to values reported for related structures. There are O-H?O hydrogen-bond inter-actions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy.

| S-EPMC4420116 | biostudies-literature

Tetra-kis(μ3-2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-nitro-pheno-lato)tetra-copper(II).

Project description:The title cluster, [Cu4(C11H12N2O6)4], was obtained from the Cu(0)-FeCl2·4H2O-H4 L-Et3N-DMF reaction system (in air), where H4 L is 2-hy-droxy-methyl-2{[(2-hy-droxy-3-nitro-phen-yl)methyl-idene]amino}-propane-1,3-diol and DMF is di-methyl-formamide. The asymmetric unit consists of one Cu(2+) ion and one dianionic ligand; a -4 symmetry element generates the cluster, which contains a {Cu4O4} cubane-like core. The metal ion has an elongated square-based pyramidal CuNO4 coordination geometry with the N atom in a basal site. An intra-molecular O-H⋯O hydrogen bond is observed. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155], which indicated a solvent cavity of volume 3131 Å(3) containing approximately 749 electrons. These solvent molecules are not considered in the given chemical formula.

| S-EPMC3998260 | biostudies-literature

Crystal structure of tetra-kis-(μ3-2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)tetra-kis-[aqua-copper(II)]: a redetermination at 200 K.

Project description:The crystal structure of the tetra-nuclear title compound, [Cu4(C12H15NO5)4(H2O)4], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941-947], based on room-temperature data. In the previously published structure, no standard uncertainties are recorded for the deprotonated hy-droxy-methyl group and water mol-ecule O atoms coordinating to the metal atom indicating that they were not refined; furthermore, the H atoms of some OH groups and water mol-ecules have not been positioned accurately. Since the current structure was determined at a lower temperature, all atoms, including the H atoms of these hy-droxy groups and the water mol-ecule, have been determined more accurately resulting in improved standard uncertainties in the bond lengths and angles. Diffraction data were collected at 200 K, rather than the more usual 100 K, due to apparent disordering at lower temperatures. In addition, it is now possible to report intra- and inter-molecular O-H⋯O inter-actions. In the title complex molecule, which has crystallographic -4 symmetry, the Cu(II) ions are coordinated by the tridentate Schiff base ligands and water mol-ecules, forming a tetra-nuclear Cu4O4 cubane-like core. The Cu(II) ion adopts a CuNO5 elongated octa-hedral environment. The coordination environment of Cu(II) at 200 K displays a small contraction of the Cu-N/O bonds, compared with the room-temperature structure. In the crystal lattice, the neutral clusters are linked by inter-molecular O-H⋯O hydrogen bonds into a one-dimensional hydrogen-bonding network propagating along the b axis.

| S-EPMC4647398 | biostudies-literature

Crystal structure of bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) 0.39-hydrate.

Project description:The title compound, [Mn(C12H15NO5)2]·0.39H2O, is a 0.39 hydrate of the isostructural complex bis-(2-{[1,1-bis-(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-6-meth-oxy-phenolato)manganese(IV) that has previously been reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941-947], based on room-temperature data. The current structure that was determined at 100?K reveals a lengthening of the c cell parameter compared with the published one due to the incorporation of the partial occupancy water mol-ecule. The title compound crystallizes in the tetra-gonal chiral space group P41212; the neutral [Mn(IV)(C12H15NO5)2] mol-ecule is situated on a crystallographic C 2 axis. The overall geometry about the central manganese ion is octa-hedral with an N2O4 core; each ligand acts as a meridional ONO donor. The coordination environment of Mn(IV) at 100?K displays a difference in one of the two Mn-O bond lengths, compared with the room-temperature structure. In the crystal, the neutral mol-ecules are stacked in a helical fashion along the c-axis direction.

| S-EPMC4645066 | biostudies-literature

2-[(4-Methoxy-phen-yl)imino-meth-yl]-4-nitro-phenol.

Project description:The title Schiff base compound, C(14)H(12)N(2)O(4), is in an inter-mediate state between NH and OH tautomers. Apart from the intra-molecular O-H⋯N hydrogen bond, there are inter-molecular C-H⋯O hydrogen bonds, generating centrosymmetric R(2) (2)(18) and R(2) (2)(14) dimers.

| S-EPMC2968952 | biostudies-literature

(E)-2-[(4-Ethoxy-phen-yl)imino-meth-yl]-4-methoxy-phenol.

Project description:In the mol-ecule of the title compound, C(16)H(17)NO(3), the aromatic rings are oriented at a dihedral angle of 29.25?(8)°. An intra-molecular O-H?N hydrogen bond results in the formation of a nearly planar [maximum deviation 0.034?(13)?Å] six-membered ring, which is oriented at dihedral angles of 0.91?(1) and 28.91?(12)° with respect to the aromatic rings. The title mol-ecule is a phenol-imine tautomer, as evidenced by C-O, C-N and C-C bond lengths. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds that generate C(8) chains.

| S-EPMC2971308 | biostudies-literature

(E)-2-[(2-Ethyl-phen-yl)imino-meth-yl]-6-methoxy-phenol.

Project description:The mol-ecule of the title compound, C(16)H(17)NO(2), adopts the phenol-imine tautomeric form with a strong intra-molecular O-H?N hydrogen bond and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 21.23?(9)°. The ethyl group is disordered over two orientations with occupancies of 0.598?(6) and 0.402?(6). In the crystal, the mol-ecules are linked into chains along the b axis by C-H?? inter-actions.

| S-EPMC2979675 | biostudies-literature

(2-{[1,1-Bis(hydroxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-4-chloro-phenolato-?N,O,O')dibutyl-tin(IV).

Project description:The Schiff base ligand in the title compound, [Sn(C(4)H(9))(2)(C(11)H(12)ClNO(4))], chelates to the Sn atom through the two deprotonated O atoms, as well as through the N atom, to confer an overall cis-C(2)SnNO(2) trigonal-bipyramidal geometry at tin [C-Sn-C = 130.3?(1)°]. The hydr-oxy groups engage in O-H?O hydrogen bonding with the O atoms of adjacent mol-ecules, generating a chain running along the c axis.

| S-EPMC2983778 | biostudies-literature

(2-{[1,1-Bis(hy-droxy-meth-yl)-2-oxidoeth-yl]imino-meth-yl}-4-chloro-phenolato-κO,N,O')dibutyl-tin(IV).

Project description:In the title compound, [Sn(C(4)H(9))(2)(C(11)H(12)BrNO(4))], the Schiff base ligand chelates to the Sn(IV) atom through the two deprotonated hy-droxy groups, as well as through the N atom, to confer an overall cis-C(2)SnNO(2) trigonal-bipyramidal geometry at the Sn(IV) atom [C-Sn-C = 129.92 (9)°]. The remaining methyl-enehy-droxy groups engage in O-H⋯O hydrogen bonding with the O atoms of adjacent mol-ecules, leading to infinite supra-molecular chains propagating in [001].

| S-EPMC3006995 | biostudies-literature

(E)-2-[(2-Amino-4,5-dibromo-phen-yl)imino-meth-yl]-6-methoxy-phenol.

Project description:The title compound, C(14)H(12)Br(2)N(2)O(2), was prepared from the condensation of 4,5-dibromo-1,2-phenyl-enediamine and 2-hydr-oxy-3-methoxy-benzaldehyde in methanol. The N=C double bond shows a trans conformation and the dihedral angle between the aromatic ring planes is 5.9?(4)°. In the crystal structure, there are intra-molecular O-H?N and N-H?N and inter-molecular N-H?O hydrogen bonds, the latter resulting in inversion dimers.

| S-EPMC2968274 | biostudies-literature

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