Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of (2-formyl-phenolato-?(2) O,O')oxido(2-{[(2-oxidoeth-yl)imino]-meth-yl}phenolato-?(3) O,N,O')vanadium(V).

ABSTRACT: In the unsymmetrical title vanadyl complex, [V(C9H9NO2)(C7H5O2)O], one of the ligands (2-formyl-phenol) is disordered over two sets of sites, with an occupancy ratio of 0.55?(2):0.45?(2). The metal atom is hexa-coordinated, with a distorted octa-hedral geometry. The vanadyl O atom (which subtends the shortest V-O bond) occupies one of the apical positions and the remaining axial bond (the longest in the polyhedron) is provided by the (disordered) formyl O atoms. The basal plane is defined by the two phenoxide O atoms, the imino-alcoholic O and the imino N atom. The planes of the two benzene rings are almost perpendicular to each other, subtending an inter-planar angle of 84.1?(2)° between the major parts. The crystal structure features weak C-H?O and C-H?? inter-actions, forming a lateral arrangement of adjacent molecules.

SUBMITTER: Parimala S

PROVIDER: S-EPMC4420105 | biostudies-other | 2015 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Crystal structure of (2-formyl-phenolato-κ(2) O,O')oxido(2-{[(2-oxidoeth-yl)imino]-meth-yl}phenolato-κ(3) O,N,O')vanadium(V).

Parimala Sowmianarayanan S Selvam Parasuraman P

Acta crystallographica. Section E, Crystallographic communications 20150409 Pt 5

In the unsymmetrical title vanadyl complex, [V(C9H9NO2)(C7H5O2)O], one of the ligands (2-formyl-phenol) is disordered over two sets of sites, with an occupancy ratio of 0.55 (2):0.45 (2). The metal atom is hexa-coordinated, with a distorted octa-hedral geometry. The vanadyl O atom (which subtends the shortest V-O bond) occupies one of the apical positions and the remaining axial bond (the longest in the polyhedron) is provided by the (disordered) formyl O atoms. The basal plane is defined by the ...[more]

PMID: 25995886

Similar Datasets

Bis{?-2-[(pyridin-2-yl)imino-meth-yl]phenolato}bis-[(2-formyl-phenolato)copper(II)].

Project description:The asymmetric unit of the title compound, [Cu(2)(C(12)H(9)N(2)O)(2)(C(7)H(5)O(2))(2)], contains two independent (2-formyl-phen-olato){2-[(pyridin-2-yl)imino-meth-yl]phenolato}copper(II) mol-ecules that form pseudocentrosymmetric dimers via inter-actions between the Cu and pyridyl N atoms of independent monomers. The square-planar geometry of the Cu atoms in the monomer thus becomes square-based pyramidal in the dimer. The crystal studied was an inversion twin, with unequal populations of 0.353?(17) and 0.647?(17).

| S-EPMC3120375 | biostudies-literature

Oxido[2-{(E)-[((1E)-{(E)-2-[1-(2-oxido-phen-yl)ethyl-idene]hydrazin-1-yl-idene}(prop-2-en-1-ylsulfan-yl)meth-yl)-imino]-meth-yl}phenolato]vanadium(IV).

Project description:The V(IV) atom in the title complex, [V(C(19)H(17)N(3)O(2)S)O], is coordinated by two N and two O atoms of the dianionic tetra-dentate Schiff base ligand and the terminal oxide O atom. The N(2)O(3) donor set defines a square-pyramidal coordination geometry with the oxide O atom in the apical site. Some buckling in the tetra-dentate ligand is indicated by the dihedral angle of 17.92?(19)° between the six-membered chelate rings. Supra-molecular chains are formed along the b axis via C-H?O contacts in the crystal. The chains are connected into a layer in the ab plane via C-H?? inter-actions. The atoms comprising the -SCH(2)-CH=CH(2) and methyl substituents were found to be disordered in a 0.916?(2):0.088?(2) ratio. The crystal studied was found to be twinned by nonmerohedry with a 28.1?(4)% minor twin component.

| S-EPMC3414106 | biostudies-literature

{4-Chloro-2-[(2-hy-droxy-eth-yl)imino-meth-yl]phenolato}{4-chloro-2-[(2-oxido-eth-yl)imino-meth-yl]phenolato}cobalt(III).

Project description:In the title mononuclear cobalt(III) compound, [Co(C(9)H(8)ClNO(2))(C(9)H(9)ClNO(2))], the Co(II) atom is six-coordinated by two imine N atoms, two phenolate O atoms, and one hy-droxy and one oxide O atom from two Schiff base ligands, forming an octa-hedral geometry. In the crystal structure, adjacent mol-ecules are linked through inter-molecular O-H?O hydrogen bonds. The 2-oxidoethyl group is disordered over two positions in a 0.638?(3):0.362?(3) ratio.

| S-EPMC3008055 | biostudies-literature

Bis{2-formyl-4-methyl-6-[(tri-2-pyridyl-meth-yl)imino-meth-yl]phenolato}nickel(II).

Project description:The title compound, [Ni(C(25)H(19)N(4)O(2))(2)], which was obtained by the reaction of nickel(II) perchlorate with 2,6-diformyl-4-methyl-phenol and (tri-2-pyridylmeth-yl)amine in methanol solution, is a discrete monometallic complex. The Ni(II) atom is six-coordinated by the phenolate O, imine N and pyridine N atoms from two tridentate Schiff base ligands in a distorted NiN(4)O(2) octa-hedral geometry. The dihedral angles between the noncoordinated pyridyl rings of each ligand are 72.95?(8) and 69.59?(7)°.

| S-EPMC2968412 | biostudies-literature

Crystal structure of di-chlorido-bis-{μ-2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}{2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}cadmium(II)cobalt(III) monohydrate.

Project description:The title compound, [CoCd(C9H10NO2)3Cl2]·H2O, is a solvatomorph of the corresponding hemihydrate recently published by us [Nesterova et al. (2018 ▸). Appl. Cat. A, 560, 171-184]. The current structure reveals different cell parameters and space group compared with the published one while both are monoclinic with almost the same cell volume. The title compound is formed of discrete neutral dinuclear mol-ecules with no crystallographically imposed symmetry and water mol-ecules of crystallization. The overall geometry about the cobalt(III) ion is octa-hedral with an N3O3 environment; each ligand acts as a meridional ONO donor. The CdII coordination sphere approximates an irregular square pyramid with a chlorine atom at the apex. There is significant shortening of a Cd-O bond length to the oxygen atom of the methoxo group on one of the ligands [2.459 (3) Å] compared to the corresponding distance in the published structure [2.724 (7) Å], while other Cd-Cl/N/O bonds remain roughly the same. In the crystal lattice, the heterometallic mol-ecules, which are related by the crystallographic n-glide plane and inter-linked by weak hydrogen bonds to solvent water mol-ecules, form columns along [101]. Adjacent columns lie anti-parallel to each other.

| S-EPMC6218914 | biostudies-literature

(4-Bromo-2-{[2-(morpholin-4-yl)ethyl-imino]-meth-yl}phenolato)dioxido-vanadium(V).

Project description:In the title mononuclear dioxidovanadium(V) complex, [V(C(13)H(16)BrN(2)O(2))O(2)], the V(V) atom is five-coordinated by one phenolate O, one imine N and one morpholine N atom of the Schiff base ligand, and by two oxide O atoms, forming a distorted square-pyramidal geometry. In the crystal, weak C-H?O inter-actions and a short Br?Br contact [3.4597?(12)?Å] are observed.

| S-EPMC3201471 | biostudies-literature

Chlorido{?-2,6-bis-[(2-amino-eth-yl)imino-meth-yl]-4-chloro-phenolato}-?-oxido-dicopper(II) trihydrate.

Project description:In the title dinuclear complex, [Cu(2)(C(14)H(20)ClN(4)O)ClO]·3H(2)O, one Cu(II) cation assumes a distorted square-planar coordination geometry and the other a distorted square-pyramidal coordination geometry. Both Cu(II) cations are N,N',O-chelated by one arm of the 2,6-bis-[(2-amino-eth-yl)imino-meth-yl]-4-chloro-phenolate anion, and one oxide anion bridges the two Cu(II) cations, forming a dinuclear complex. One of the Cu(II) cations is further coordinated by an Cl(-) anion in the apical direction. In the crystal, lattice water mol-ecules are linked with the complex mol-ecule via O-H?Cl hydrogen bonds while O-H?O hydrogen bonding occurs between lattice water mol-ecules , forming three-dimensional network structure.

| S-EPMC3379123 | biostudies-literature

Crystal structure of bis-{?-2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}bis-({2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand.

Project description:The structure of the title compound, [Ni2(C9H10NO2)4], is built up by discrete centrosymmetric dimers. Two nitro-gen and three oxygen atoms of two Schiff base ligands singly deprotonated at the phenolate site form a square-pyramidal environment for each metal atom. The ligands are bonded differently to the metal centre: one of the phenolic O atoms is bound to one nickel atom, whereas another bridges the two metal atoms to form the dimer. The Ni-N/O distances fall in the range 1.8965?(13)-1.9926?(15)?Å, with the Ni-N bonds being slightly longer; the fifth contact of the metal to the bridging phenolate oxygen atom is substanti-ally elongated [2.533?(1)?Å]. A similar coordination geometry was observed in the isomorphous Cu analogue previously reported by us [Sydoruk et al. (2013 ?). Acta Cryst. E69, m551-m552]. In the crystal, the [Ni2 L 4] mol-ecules form sheets parallel to the ab plane with the polar meth-oxy groups protruding into the inter-sheet space and keeping the sheets apart. Within a sheet, the mol-ecules are stacked relative to each other in such a way that the Ni2O2 planes of neighbouring mol-ecules are orthogonal.

| S-EPMC6505594 | biostudies-literature

Crystal structure of bis-{2-[(E)-(4-meth-oxy-lbenz-yl)imino-meth-yl]phenolato-?(2) N,O (1)}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C15H14NO2)2], comprises an Ni(II) cation, lying on an inversion centre, and a Schiff base anion that acts as a bidentate ligand. The Ni(II) cation is in a square-planar coordination environment binding to the imine N and phenolate O atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutually trans, with Ni-N and Ni-O bond lengths of 1.9191?(11) and 1.8407?(9)?Å, respectively. The plane of the meth-oxy-benzene ring makes a dihedral angle of 84.92?(6)° with that of the phenolate ring. In the crystal, mol-ecules are linked into screw chains by weak C-H?O hydrogen bonds. Additional C-H?O hydrogen bonds, together with C-H?? contacts, arrange the mol-ecules into sheets parallel to the ac plane.

| S-EPMC4158500 | biostudies-literature

Crystal structure of bis-(2-{[(3-bromo-prop-yl)imino]-meth-yl}phenolato-?(2) N,O)copper(II).

Project description:In the title compound, [Cu(C10H11BrNO)2], the asymmetric unit consists of one-half of the mol-ecule, the other half being generated by an inversion centre. Hence the Cu(II) cation is symmetrically coordinated by two bidentate Schiff base anions in a slightly distorted square-planar environment with Cu-O and Cu-N bond lengths of 1.8786?(19) and 2.009?(2)?Å, respectively. In the crystal, individual mol-ecules are packed in alternating zigzag layers parallel to (001). Weak C-H?? inter-actions exist between the mol-ecules.

| S-EPMC4384597 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data