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

ABSTRACT: 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.

SUBMITTER: Liu JF

PROVIDER: S-EPMC2971951 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

(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

Bis{2-methoxy-6-[(4-methyl-phen-yl)iminiometh-yl]-phenolato-κO}bis-(thio-cyanato-κN)zinc(II).

Project description:The Schiff base 2-[(4-methyl-phen-yl)imino-meth-yl]-6-methoxy-phenol (HL) forms a complex with a Zn(2+) atom and two independent thio-cyanate ions, [Zn(NCS)(2)(C(15)H(15)NO(2))(2)], in which two phenolate O atoms the two independent Schiff base ligands are coordinated to thee Zn(2+) atom. The protonated imine N atoms are involved in an intramolecular hydrogen bond with the phenoxide group. The Zn atom is also coordinated by two N atoms of two thio-cyanate ligands. The coordination environment of the Zn atom is distorted-tetra-hedral.

| S-EPMC2959850 | 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

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

Project description:The asymmetric unit of the title compound, [Ce(NCS)(3)(C(15)H(15)NO(2))(3)], contains three Schiff base 2-methoxy-6-[(4-methyl-phenyl)iminometh-yl]-phenol (HL) ligands and three independent thio-cyanate ions that coordinate the cerium ion via their N atoms. The protonated imine N atoms are involved in an intra-molecular hydrogen bond with the respective phenoxide group. The Ce(III) ion exhibits a coordination number of nine.

| S-EPMC2969666 | biostudies-literature

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

Project description:The asymmetric unit of title compound, [Pr(NCS)(3)(C(15)H(15)NO(2))(3)]·H(2)O, consists of three Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)imino-meth-yl]phenol (HL) ligands, three independent thio-cyanate anions and an uncoordinated water mol-ecule. The Pr(III) ion is nine-coordinated. The thio-cyanate anions coordinate to the Pr(III) ion via the N atoms and the three HL ligands chelate the Pr(III) ion via the phenoxy and meth-oxy O atoms. The protonated imine N atoms are involved in intra-molecular hydrogen bonds with the phenolate groups.

| S-EPMC2971403 | biostudies-literature

Bis-(thio-cyanato-κN)[tris(pyridin-2-yl-meth-yl)amine-κ(4) N]-iron(II).

Project description:In the title complex, [Fe(NCS)2(C18H18N4)], the Fe(II) cation is chelated by a tris-(2-pyridyl-meth-yl)amine ligand and coordin-ated by two thio-cyanate anions in a distorted N6 octa-hedral geometry. In the crystal, weak C-H⋯S hydrogen bonds and π-π stacking inter-actions between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.653 (3) Å] link the mol-ecules into a two-dimensional supra-molecular architecture. The structure contains voids of 124 (9) Å(3), which are free of solvent molecules.

| S-EPMC3998248 | biostudies-literature

Poly[bis-(methanol-κO)tris-(μ-pyrimidine-κN:N')tetra-kis(thio-cyanato-κN)dinickel(II)].

Project description:In the crystal structure of the title compound, [Ni(2)(NCS)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), each nickel(II) cation is coordinated by three N-bonded pyrimidine ligands, two N-bonded thio-cyanate anions and one O-bonded methanol mol-ecule in a distorted octa-hedral environment. The asymmetric unit consists of one nickel cation, two thio-cyanate anions and one methanol mol-ecule in general positions, as well as one pyrimidine ligand located around a twofold rotation axis. The crystal structure consists of μ-N:N' pyrimidine-bridged zigzag-like nickel thio-cyanate chains; these are further linked by μ-N:N-bridging pyrimidine ligands into layers which are stacked perpendicular to the b axis. The layers are connected via weak O-H⋯S hydrogen bonding.

| S-EPMC2968860 | 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

Bis[2-(amino-meth-yl)pyridine-κN,N']bis-(thio-cyanato-κN)copper(II).

Project description:In the title complex, [Cu(NCS)(2)(C(6)H(8)N(2))(2)], the Cu(II) atom, lying on an inversion center, adopts a Jahn-Teller distorted octahedral CuN(6) coordination geometry. The two bidentate 2-amino-methyl-pyridine ligands are coordinated in a trans fashion, while the two thio-cyanate ligands are at the axial positions and coordinate to the Cu atom in a bent mode with a C-N-Cu angle of 127.49 (10)°. Inter-molecular N-H⋯N and N-H⋯S hydrogen bonds link the copper complex mol-ecules into an infinite two-dimensional network.

| S-EPMC2977581 | biostudies-literature

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