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Bis{6-meth-oxy-2-[(4-methyl-phen-yl)iminiometh-yl]phenolate-?O,O'}tris-(nitrato-?O,O')holmium(III) mono-hydrate.

ABSTRACT: The crystal structure of the title compound, [Ho(NO(3))(3)(C(15)H(15)NO(2))(2)]·H(2)O, contains two Schiff base 6-meth-oxy-2-[(4-methyl-phen-yl)iminiometh-yl]phenolate (L) ligands, three independent nitrate ions that chelate to the Ho(III) ion with O atoms and a hydrate water mol-ecule. The coordination environment of the Ho(III) ion is ten-coordinate. The L ligands chelate with a strong Ho-O(phenolate) bond and weaker Ho-O(meth-oxy) contacts. The latter can be inter-preted as the apices of the bicapped square-anti-prismatic [HoO(10)] polyhedron. Inter-molecular N-H?O hydrogen bonds occur. Intra-molecular O-H?O inter-actions link the complex mol-ecules and uncoordinated water mol-ecules.

SUBMITTER: Shen JB

PROVIDER: S-EPMC3011490 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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Bis{6-meth-oxy-2-[(4-methyl-phen-yl)iminiometh-yl]phenolate-κO,O'}tris-(nitrato-κO,O')holmium(III) mono-hydrate.

Shen Jin-Bei JB Zhao Guo-Liang GL

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

The crystal structure of the title compound, [Ho(NO(3))(3)(C(15)H(15)NO(2))(2)]·H(2)O, contains two Schiff base 6-meth-oxy-2-[(4-methyl-phen-yl)iminiometh-yl]phenolate (L) ligands, three independent nitrate ions that chelate to the Ho(III) ion with O atoms and a hydrate water mol-ecule. The coordination environment of the Ho(III) ion is ten-coordinate. The L ligands chelate with a strong Ho-O(phenolate) bond and weaker Ho-O(meth-oxy) contacts. The latter can be inter-preted as the apices of the ...[more]

PMID: 21589284

Similar Datasets

Bis[6-meth-oxy-2-[(4-methyl-phen-yl)iminiometh-yl]phenolate-?O]tris-(nitrato-?O,O')ytterbium(III) monohydrate.

Project description:The crystal structure of title compound, [Yb(NO(3))(3)(C(15)H(15)NO(2))(2)]·H(2)O, contains two Schiff base 2-[(4-methyl-phen-yl)imino-meth-yl]-6-methoxy-phenol (HL) ligands, three independent nitrate ions that chelate to the ytterbium(III) ion in an O,O'-bidentate manner and an uncoordinated water mol-ecule. The coordination number of the Yb(III) ion is eight. The HL ligands chelate with a strong Yb-O(phenolate) bond and a weak Yb-O(meth-oxy) contact. The latter augments the coordination polyhedron to give a YbO(10) bicapped square antiprism. Classical inter-molecular O-H?O and N-H?O hydrogen bonds as well as weak C-H?O contacts contribute to the stability of the structure.

| S-EPMC2971141 | biostudies-literature

Tris{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate-?O,O'}tris-(thio-cyanato-?N)europium(III).

Project description:The metal center in the structure of the title compound, [Eu(NCS)(3)(C(15)H(15)NO(2))(3)], is coordinated by three Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate (L) ligands and three independent thio-cyanate ions. In the crystal structure, the acidic H atom is located on the Schiff base N atom and hydrogen bonded to the phenolate O atom. The coordination environment of the Eu(III) ion is nine-coordinate by three chelating methoxy-phenolate pairs of O atoms and three N-atom terminals of the thio-cyanate ions. The compound is isostructural with the Ce(III) analogue [Liu et al. (2009 ?). Acta Cryst. E65, m650].

| S-EPMC2972108 | biostudies-literature

Tris{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate-κO,O'}tris-(thio-cyanato-κN)lanthanum(III).

Project description:In the title compound, [La(NCS)(3)(C(15)H(15)NO(2))(3)], the metal centre is nine-coordinated by six O atoms from three zwitterionic Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminio-meth-yl]phenolate (L) ligands and three terminal N atoms of the thio-cyanate ions in a monocapped square-anti-prismatic environment. The L ligands chelate the La(III) ion with strong La-O(deprotonated phenolic) bonds [2.435 (3)-2.464 (3) Å] and significantly longer La-O(meth-oxy) bonds [2.801 (3)-2.831 (3) Å]. The La-N bond lengths range from 2.541 (4) to 2.605 (4) Å.

| S-EPMC2971951 | biostudies-literature

Bis{[6-meth-oxy-2-(4-methyl-phen-yl)iminiometh-yl]phenolate-?O,O'}tris-(nitrato-?O,O')europium(III).

Project description:The crystal structure of title compound, [Eu(NO(3))(3)(C(15)H(15)NO(2))(2)], contains two Schiff base 6-meth-oxy-2-[(4-methyl-phen-yl)imino-meth-yl]phenolate (L) ligands and three independent nitrate ions that chelate to the europium(III) ion via the O atoms. The coordination number of the Eu(III) ion is ten. The L ligands chelate with a strong Eu-O(deprotonated phenolate) bond and a weak Eu-O(meth-oxy) contact, the latter can be inter-preted as the apices of the bicapped square-anti-prismatic Eu(III) polyhedron. Intra-molecular N-H?O hydrogen bonds occur.

| S-EPMC3009253 | biostudies-other

Bis{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato-κO,O}tris-(nitrato-κO,O')methano-lsamarium(III).

Project description:The asymmetric unit of the title compound, [Sm(NO(3))(3)(C(15)H(15)NO(2))(2)(CH(3)OH)], contains two Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate (HL) ligands, three nitrate ions and one methanol mol-ecule that binds to the nine-coordinate samarium(III) ion via its O atoms. The HL ligands chelate with a strong Sm-O(deprotonated phenolic) bond and a weak Sm-O(meth-oxy) contact. The latter can be inter-preted as the apices of the bicapped square-anti-prismatic Sm(III)O(9) polyhedron. The Schiff base ligands are in a zwitterionic state with the phenolic H atom transferred to the imine N atom. O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds lend stability to the structure. One O atom of one nitrate group is equally disordered over two positions.

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(Methanol-?O)bis-{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato-?O,O'}tris-(nitrato-?O,O')cerium(III).

Project description:The asymmetric unit of title compound, [Ce(NO(3))(3)(C(15)H(15)NO(2))(2)(CH(3)OH)], consists of two Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate (HL) ligands, three nitrate anions and a methanol ligand. The Ce(III) ion is 11-coordinated: three nitrate radical anions coordinate to the Ce(III) ion through O atoms, two HL ligands chelate the Ce(III) ion through the O atoms of the phenolate and meth-oxy groups, and one methanol mol-ecule coordinates to Ce(III) ion through its O atom. The O atom of one nitrate anion is disordered over two sites of equal occupancy. The protonated imine N atoms are involved in intra-molecular hydrogen bonds with the phenoxide groups. C-H?O inter-actions are also observed.

| S-EPMC3007323 | biostudies-literature

(Methanol-κO)bis-{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato-κO,O'}tris-(nitrato-κO,O')lanthanum(III).

Project description:The asymmetric unit of title compound, [La(NO(3))(3)(C(15)H(15)NO(2))(2)(CH(3)OH)], consists of two Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato (HL) ligands, three independent nitrate anions and one methanol mol-ecule coordinated to La(III). The coordination environment of the La(III) ion is formed by eleven O atoms. Three bidentate nitrate anions coordinate to the La(III) ion, while two HL ligands chelate the metal center with O atoms from the phenolate and meth-oxy groups. The HL ligands are zwitterionic, with protonated imine N atoms. The coordination sphere is completed by one methanol mol-ecule. The protonated imine N atoms are involved in intra-molecular N-H⋯O hydrogen bonds with the phen-oxy groups and nitrate ligands. One O atom of one nitrate group is disordered over two sites of equal occupancy.

| S-EPMC2983206 | biostudies-literature

Low-temperature redetermination of 4-chloro-2-[tris-(hydroxy-meth-yl)methyl-imino-meth-yl]phenol as zwitterionic 4-chloro-2-[tris-(hydroxy-meth-yl)methyl-iminiometh-yl]phenolate.

Project description:The title Schiff base, C(11)H(14)ClNO(4), originally refined as a neutral mol-ecule [Chumakov, Antosyak, Mazus, Tsapkov & Samus (2000), Crystallogr. Rep.45, 945-950], is inter-preted as a zwitterionic compound. There are two independent zwitterions in the asymmetric unit. Five of the six hydr-oxy groups of the -CH(2)OH fragments are disordered. In one zwitterion, two are disordered over three sites [0.53 (1):0.33 (1):0.14 (1) and 0.65 (1):0.18 (1):0.17 (1)] and the third over two sites [0.66 (1):0.34 (1)]. In the second zwitterion, two are disordered over two sites [0.84 (1):0.16 (1) and 0.83 (1):0.17 (1)] and the third hydr-oxy group is ordered.

| S-EPMC2960041 | biostudies-literature

(E)-2-[(2-Hydr-oxy-5-nitro-phen-yl)iminiometh-yl]phenolate.

Project description:In the title mol-ecule, C(13)H(10)N(2)O(4), the dihedral angle between the mean planes of the benzene and phenolate rings is 21.6?(4)°. The nitro O atoms are twisted slightly out of the plane of the ring to which the nitro group is attached [dihedral angle 8.4?(3)°]. The amine group forms an intra-molecular hydrogen bond with both nearby O atoms. An extended ? delocalization throughout the entire mol-ecule exists producing a zwitterionic effect in this region of the mol-ecule. The shortened C-O bond [1.2997?(15)?Å] in concert with the slightly longer C-OH bond [1.3310?(16)?Å] provide evidence for this effect. The crystal packing is influenced by strong inter-molecular O-H?O hydrogen bonding. As a result, mol-ecules are linked into an infinite zigzag chain running along the b axis. A MOPAC PM3 calculation provides support to these observations.

| S-EPMC2968543 | biostudies-literature

Tris[6-meth-oxy-2-(phenyl-iminiometh-yl)phenolato]-?O,O';?O-tris-(thio-cyanato-?N)samarium(III).

Project description:In the crystal structure of title compound, [Sm(NCS)(3)(C(14)H(13)NO(2))(3)], two of the zwitterionic Schiff base 6-meth-oxy-2-(phenyl-iminiometh-yl)phenolate ligands coordinate to the Sm(III) atom in a bidentate fashion via the phenolate and meth-oxy O atoms. The third Schiff base ligand is monodentate, binding only through the phenolate O atom. The coordination sphere of the eight-coordinate Sm atom is completed by the three independent thio-cyanate ions binding through their N atoms, affording a square-anti-prismatic geometry. An S atom of one of the thio-cyanate anions is disordered over two sites in a 0.85:0.15 ratio. In the phenolate ligands, the proton of the phenolic hy-droxy group transfers to the imine N atom. This proton is also involved in an intra-molecular N-H?O hydrogen bond that imposes a nearly planar conformation on each ligand, with dihedral angles of 1.75?(4), 3.68?(5) and 3.86?(4)° between the aromatic rings of each ligand.

| S-EPMC3120503 | biostudies-literature

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