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

ABSTRACT: 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).

SUBMITTER: Liu JL

PROVIDER: S-EPMC2980016 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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

Liu Jia-Lu JL Shen Jin-Bei JB Zhao Guo-Liang GL

Acta crystallographica. Section E, Structure reports online 20091216 Pt 1

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, π-π inter-actions with a distance of 3.904 (7) Å between th ...[more]

PMID: 21579967

Similar Datasets

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[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-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(2-meth-oxy-6-{[2-(methyl-ammonio)eth-yl]imino-meth-yl}phenolato)thio-cyanato-zinc(II) thio-cyanate hemihydrate.

Project description:The title mononuclear zinc(II) complex, [Zn(C(11)H(16)N(2)O(2))(2)(NCS)]NCS·0.5H(2)O, consists of a complex cation, a thio-cyanate anion, and half of a water mol-ecule. The Zn(II) atom in the cation is five-coordinated by two imine N and two phenolate O atoms from two bidentate Schiff base ligands, and by one N atom of a thio-cyanate ligand, forming a distorted trigonal-bipyramidal geometry. The ammonio H atoms are involved in hydrogen bonding with the ligand O atoms and the solvent water molecules (site occupation factor 0.5), which partially determines the conformation of the ligands.

| S-EPMC2969465 | 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{2-eth-oxy-6-[2-(methyl-ammonio)ethyl-imino-meth-yl]phenolato}thio-cyanato-zinc(II) nitrate.

Project description:In the title compound, [Zn(NCS)(C(12)H(18)N(2)O(2))(2)]NO(3), the Zn(II) ion is chelated by the phenolate O and imine N atoms from two zwitterionic Schiff base ligands and is also coordinated by the N atom of a thio-cyanate ligand, giving a distorted trigonal-bipyramidal geometry. Intra-molecular N-H?O hydrogen bonds are observed in the complex cation. The nitrate anions are linked to the complex cations through N-H?O hydrogen bonds.

| S-EPMC2979686 | biostudies-literature

{5-Meth-oxy-2-[(2-morpholinoethyl)-iminometh-yl]phenolato}(thio-cyanato-?N)-nickel(II).

Project description:In the mononuclear title complex, [Ni(C(14)H(19)N(2)O(3))(NCS)], the nickel(II) atom is four-coordinated in a square-planar geometry by the O and N atoms of the tridentate Schiff base ligand and by the N atom of a thio-cyanate ligand. The crystal structure is stabilized by inter-molecular C-H?S and C-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC2983697 | biostudies-literature

Bis{2-[3-(dimethyl-ammonio)-propyl-imino-methyl-?N]-6-meth-oxy-phenolato-?O}bis-(thio-cyanato-?N)nickel(II).

Project description:The asymmetric unit of the title complex, [Ni(NCS)(2)(C(13)H(20)N(2)O(2))(2)], consists of two half-mol-ecules, both of which are completed by crystallographic inversion symmetry (Ni(2+) site symmetry = in both cases). Both metal ions are six-coordinated in distorted trans-NiO(2)N(4) geometries arising from two N,O-bidentate Schiff base ligands and two N-bonded thio-cyanate ions. The mol-ecular conformations are reinforced by two intra-molecular N-H?O hydrogen bonds.

| S-EPMC3009057 | biostudies-literature

Di-?-thio-cyanato-?N:N-bis-({5-meth-oxy-2-[3-(methyl-amino)propyl-imino-meth-yl]phenolato-?O,N,N'}copper(II)).

Project description:The title thio-cyanate-bridged dinuclear copper(II) complex, [Cu(2)(C(12)H(17)N(2)O(2))(2)(NCS)(2)], possesses crystallographic inversion symmetry. Each Cu(II) atom is five-coordinated by one imine N, one amine N and one phenolate O atom of the Schiff base ligand, and by two N atoms from two bridging thio-cyanate ligands, forming a square-pyramidal geometry. Beside the two thio-cyanate bridges, there are two intra-molecular N-H?O hydrogen bonds, which further link the two Cu(C(12)H(17)N(2)O(2))(NCS) units. The Cu?Cu separation is 3.261?(2)?Å. Parts of the methylaminopropylimino segment are disordered over two sites with occupancies of 0.669(9) and 0.331(9).

| S-EPMC2979178 | biostudies-literature

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