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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

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

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-[(2,4-dimethyl-phen-yl)imino-meth-yl]pyridine-κN,N'}bis-(thio-cyanato-κN)cadmium.

Project description:The title compound, [Cd(NCS)(2)(C(14)H(14)N(2))(2)], features crystallographic inversion symmetry with the Cd(II) ion located on a centre of inversion. The Cd(II) ion is six-coordinated in a slightly distorted octa-hedral geometry with the thiocyanate anions in axial positions. The angle between the benzene and pyridine rings is 69.64 (9)°. An inter-molecular C-H⋯S hydrogen bond stabilizes the crystal structure.

| S-EPMC3274934 | biostudies-literature

Bis(2-chloro-1,10-phenanthroline-κN,N')(thio-cyanato-κN)zinc (2-chloro-1,10-phenanthroline-κN,N')tris-(thio-cyanato-κN)zincate.

Project description:The asymmetric unit of the title compound, [Zn(NCS)(C(12)H(7)ClN(2))(2)][Zn(NCS)(3)(C(12)H(7)ClN(2))], contains two cations and two anions. In the cations, the Zn(II) ions have distorted trigonal-bipyramidal environments formed by four N atoms from two 2-chloro-1,10-phenanthroline (cphen) ligands and one N atom from a thio-cyanate ligand. The Zn(II) atoms in the complex anions also have distorted trigonal-bipyramidal environments, formed by two N atoms from a cphen ligand and three N atoms from three thio-cyanato ligands. The crystal packing exhibits π-π inter-actions between the rings of the cphen ligands [shortest centroid-centroid distance = 3.586 (5) Å] and short inter-molecular S⋯Cl [3.395 (5) Å] and S⋯S [3.440 (4) Å] contacts.

| S-EPMC3274921 | biostudies-literature

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

Bis-(thio-cyanato-?N)[tris(pyridin-2-yl-meth-yl)amine-?(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 ?-? 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

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

Project description:In the title compound, [Nd(NCS)(3)(C(15)H(15)NO(2))(3)], the Nd(III) ion is coordinated by three thio-cyanate anions [Nd-N = 2.489?(8)-2.530?(7)?Å] and six O atoms [Nd-O = 2.375?(4)-2.843?(5)?Å] from three zwitterionic 2-meth-oxy-6-(4-methyl-phenyl-iminiometh-yl)phenolate ligands in a tricapped trigonal-prismatic geometry. Intra-molecular N-H?O hydrogen bonds occur. The crystal packing exhibits weak inter-molecular C-H?S hydrogen bonds, ?-? inter-actions with a distance of 3.904?(7)?Å between the centroids of the aromatic rings, and voids of 101?Å(3).

| S-EPMC2980016 | biostudies-literature

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