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Crystal structure of tris-[bis-(2,6-diiso-propyl-phen-yl) phosphato-κO]penta-kis-(methanol-κO)europium methanol monosolvate.

ABSTRACT: The mononuclear title complex, [Eu(C₂₄H₃₄O₄P)₃(CH₄O)₅]·CH₄O, (1), has been obtained as a minor product in the reaction between EuCl₃(H₂O)₆ and lithium bis-(2,6-diiso-propyl-phen-yl) phosphate in a 1:3 molar ratio in a methanol medium. Its structure exhibits monoclinic (P2₁/c) symmetry at 120 K and is isostructural with the La, Ce and Nd analogs reported previously [Minyaev et al. (2018a ▸). Acta Cryst. C74, 590-598]. In (1), all three bis-(2,6-diiso-propyl-phen-yl) phosphate ligands display the terminal κ¹ O-coordination mode. All of the hy-droxy H atoms are involved in O-H⋯O hydrogen bonding, exhibiting four intra-molecular and two inter-molecular hydrogen bonds. Photophysical studies have demonstrated luminescence of (1) with a low quantum yield.

SUBMITTER: Kalugin AE

PROVIDER: S-EPMC6895930 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of [bis-(2,6-diiso-propyl-phen-yl) phosphato-?O]tris-(methanol-?O)lithium methanol monosolvate.

Project description:Crystals of the title compound, [Li{OOP(O-2,6-(i)Pr2C6H3)2}(CH3OH)3]·CH3OH or [Li(C24H34O4P)(CH3OH)3]·CH3OH, have been formed in the reaction between HOOP(O-2,6-(i)Pr2C6H3)2 and LiOH in methanol. The title compound is of inter-est as it represents the first reported crystal structure of the family of lithium phosphate diesters. The {Li(CH3OH)3[O2P(O-(i)Pr2C6H3)2]} unit displays the Li atom in a slightly distorted tetra-hedral coordination environment and exhibits one intra-molecular O-H?O hydrogen bond between a coordinating methanol mol-ecule and the terminal non-coordinating O atom of the phosphate group. The unit is connected with two non-coordinating methanol mol-ecules through two inter-molecular O-H?O hydrogen bonds, and with a neighbouring unit through two other O-H?O inter-actions. These inter-molecular hydrogen bonds lead to the formation of infinite chains along [100]. There are no significant inter-actions between the chains.

| S-EPMC4420106 | biostudies-literature

[Bis(2,6-diiso-propyl-phen-yl) phosphato-κ<i>O</i>]pentakis-(methanol-κ<i>O</i>)manganese bis-(2,6-diiso-propyl-phen-yl) phosphate methanol tris-olvate.

Project description:The title compound, [Mn(C24H34O4P)(CH3OH)5](C24H34O4P)·3CH3OH, was formed in the reaction between a hydrate of a manganese(II) salt [either Mn(NO3)2(H2O)6 or MnCl2(H2O)4] with a methanol solvate of lithium bis-(2,6-diiso-propyl-phen-yl) phosphate, {Li[OOP(O-2,6- i Pr2C6H3)2]·(CH4O)3}·CH4O, in methanol. The structure has monoclinic (Cc) symmetry at 150 K. The complex consists of an [Mn{OOP(O-2,6- i Pr2C6H3)2}(CH3OH)5]+ cation, an [OOP(O-2,6- i Pr2C6H3)2]- anion and three non-coordinating methanol mol-ecules. The anion demonstrates disorder of an isopropyl group [occupancy ratio is 0.57 (4):0.43 (4)]. The di-aryl-phosphate ligand in the cation exhibits a κ1 O terminal coordination mode. The Mn atom is in a nearly unperturbed octa-hedral environment. The [Mn{OOP(O-2,6- i Pr2C6H3)2}(CH3OH)5]+ cation exhibits one intra-molecular O-H⋯O bond, and is coordinated via two inter-molecular O-H⋯O hydrogen bonds to the [OOP(O-2,6- i Pr2C6H3)2]- anion. The cations, anions and non-coordinating methanol mol-ecules are linked into infinite chains along the c-axis direction via 0-H⋯O hydrogen bonding. The complex is of inter-est as a possible inhibitor for the thermal decomposition of polydi-methyl-siloxane. The crystal studied was refined as an inversion twin with a domain ratio of 0.47 (3):0.53 (3).

| S-EPMC6176441 | biostudies-literature

Penta-ammonium hepta-sodium bis-[penta-kis(?(2)-oxido)deca-oxido-bis-(?(5)-phosphato)penta-molybdenum(VI)] henicosa-hydrate.

Project description:The title compound, (NH(4))(5)Na(7)[Mo(5)P(2)O(23)](2)·21H(2)O, was prepared under atmospheric conditions in aqueous solution at room temperature. The structure contains the [Mo(5)P(2)O(23)](6-) heteropolyoxometallate anion, which has been previously reported a number of times with a variety of differing counter-cations. Each anion is built up of five MoO(6) octa-hedra sharing an edge and forming a ring which is closed by common corners of the terminal octa-hedra. The rings are closed on both sides by two asymmetric PO(4) tetra-hedra, sharing three corners with three MoO(6) octa-hedra. The anions are chiral and the two independent anions in the asymmetric unit were arbitarily chosen with the same chirality, but the centrosymmetric crystal contains both enanti-omers. The structure can alternatively be described as a succession of layers parallel to (101), formed by the [Mo(5)P(2)O(23)](6-) anions and linked by sodium chains. Water mol-ecules and ammonium ions fill the remaining space and ensure the cohesion through extensive N-H?O and O-H?O hydrogen bonding.

| S-EPMC2983582 | biostudies-literature

Poly[[chloridodimethanol(?(3)-pyridine-2,3-dicarboxyl-ato)europium(III)] methanol monosolvate].

Project description:The asymmetric unit of the title compound, {[Eu(C(7)H(3)NO(4))Cl(CH(3)OH)(2)]·CH(3)OH}(n), contains one Eu(III) ion, one pyridine 2,3-dicarboxylate dianion (PDC), two CH(3)OH mol-ecules coordinating to the metal atom, one coordinating chloride and one lattice occluded CH(3)OH mol-ecule. In the crystal, each PDC anion coordinates to three adjacent Eu(III) ions by the pyridine N and O atoms of the carboxyl-ate groups. The Eu(III) cation is eightfold coordinated by four carboxyl-ate O atoms, one pyridine N atom, two MeOH and one chloride anion in the form of a distorted polyhedron. Extended coordination of the PDC ligand lead to the formation of a two-dimensional coordination polymer parallel to (10-1).

| S-EPMC3344402 | biostudies-literature

2-Vinyl-pyridine-tris-(penta-fluoro-phen-yl)borane hexane monosolvate.

Project description:The title compound, C(7)H(7)N·B(C(6)F(5))(3)·C(6)H(14), was obtained by the stoichiometric reaction of 2-vinyl-pyridine and tris-(penta-fluoro-phen-yl)borane in toluene. The formed adduct exhibits a restricted rotation along the B-N bond resulting in an asymmetry, which can be also observed in the (19)F NMR spectra. The B-N distance is equivalent to the distances found for 2-methyl-pyridine and 2-ethyl-pyridine B(C(6)F(5))(3) adducts. For the final refinement, the contributions of disordered solvent mol-ecules were removed from the diffraction data with SQUEEZE in PLATON [van der Sluis & Spek (1990). Acta Cryst. A46, 194-201; Spek (2009). Acta Cryst. D65, 148-155].

| S-EPMC3344187 | biostudies-literature

Poly[penta-kis-(?-cyanido-?N:C)tris-(5-phenyl-2,2'-bipyridine-?N,N')penta-copper(I)].

Project description:The hydro-thermal reaction of Cu(acetate)(2) and K(3)[Fe(CN)(6)] with 5-phenyl-2,2'-bipyridine (5-ph-2,2'-bpy) in water yields the polymeric title complex, [Cu(5)(CN)(5)(C(16)H(12)N(2))(3)](n), which consists of ribbons along the a axis, constructed from 26-membered {Cu(10)(CN)(8)} rings. In these rings, the metal atoms are bridged by cyanide groups, except for one close Cu?Cu contact [2.7535?(12)?Å], which can be considered as ligand-unsupported. Within the rings, one Cu atom has a distorted tetra-hedral geometry through the coordination to two N atoms from 5-ph-2,2'-bpy and two N/C atoms from two cyanide groups. Two Cu atoms have a trigonal planar environment being coordinated by three cyanide groups and two other Cu atoms have a distorted square planar geometry through coordination to two N atoms from 5-ph-2,2'-bpy and two N/C atoms from two cyanide groups.

| S-EPMC3238629 | biostudies-literature

[N,N'-Bis(3-meth-oxy-2-oxidobenzyl-idene)cyclo-hexane-1,2-diaminium-?O,O',O'',O''']tris-(nitrato-?O,O')europium(III) methanol monosolvate.

Project description:In the title mononuclear salen-type complex, [Eu(NO(3))(3)(C(22)H(26)N(2)O(4))]·CH(3)OH, the Eu(III) ion is ten-coordinated by three bidentate nitrate counter-ions and one organic salen-type ligand, which acts in a bis-bidentate chelating mode through its phenolate and meth-oxy O atoms. The protonated imine groups are involved in intra-molecular N-H?O hydrogen bonds to the phenolate O atomss, emphasizing the zwitterionic nature of the ligand. An O-H?O hydrogen bond links the complex and solvent mol-ecules.

| S-EPMC3011416 | biostudies-literature

Poly[[aqua-tris-(?-benzene-1,4-dicarboxyl-ato)tricobalt(II)] methanol monosolvate monohydrate].

Project description:The asymmetric unit of the title compound, {[Co(3)(C(8)H(4)O(4))(3)(H(2)O)]·CH(3)OH·H(2)O}(n), consists of four crystallographically independent Co cations, four benzene-1,4-dicarboxyl-ate (bdc) anions, two water and one methanol solvent mol-ecule. Two of the Co cations and two of the bdc anions are located on centres of inversion, whereas all other atoms are located in general positions. In the crystal, two Co atoms are only fourfold coordinated by three O atoms from three bdc ligands and by one O atom from one coordinated water mol-ecule, while a third Co atom is coordinated by four O atoms from four bdc ligands within a strongly distorted tetra-hedral geometry. The other two Co cations are octa-hedrally coordinated by six O atoms from six bdc anions. The Co cations are linked by the bdc anions into a three-dimensional framework. From this arrangement, cavities are formed in which additional methanol and water mol-ecules are embedded.

| S-EPMC3152069 | biostudies-literature

Tris(ethyl-enediammonium) bis-[(2-amino-ethyl)ammonium] bis-[bis-(?(5)-hydrogen phosphato)penta-?(2)-oxido-deca-oxido-penta-molybdenum(VI)] deca-hydrate.

Project description:The title compound, (C(2)H(10)N(2))(3)(C(2)H(9)N(2))(2)[Mo(5)(HPO(4))(2)O(15)]·10H(2)O, was prepared under hydro-thermal conditions at pH 5.0. The structure contains mono- and diprotonated ethyl-enediamine cations, [Mo(5)O(15)(HPO(4))(2)](4-) anions and uncoord-in-ated water mol-ecules. The [Mo(5)O(15)(HPO(4))(2)](4-) hetero-poly-oxometallate anion is made up of five MoO(6) octa-hedra sharing an edge and forming a ring, which is closed by common corners of the terminal MoO(6) octa-hedron. The ring is topped on both sides by two slightly distorted PO(4) tetra-hedra, sharing three corners with three MoO(6) octa-hedra. The terminal oxygen atoms of the PO(4) units are protonated. Together with the anions, the water mol-ecules and the ethyl-enediammonium cations are involved in N-H?O and O-H?O hydrogen bonding, forming a three-dimensional supra-molecular network.

| S-EPMC2979102 | biostudies-literature

1,1'-Methyl-enebis[3-(2,6-diiso-propyl-phen-yl)-3,4,5,6-tetra-hydro-pyrimidin-1-ium] dibromide ethanol monosolvate monohydrate.

Project description:In the title methyl-ene-bridged di(tetra-hydro-pyrimidinium) salt, C33H50N4 (2+)·2Br(-)·C2H5OH·H2O, the two tetra-hydro-pyrimidinium rings have envelope conformations with the central CH2 C atom as the flap. Their mean planes are inclined to one another by 73.31?(13)° and the attached benzene rings are inclined to one another by 67.39?(15)°. The methylene-C-N bond lengths in the tetra-hydro-pyrimidinium rings are 1.314?(3) and 1.304?(3)?Å, values typical for C=N double bonds. The distances between the methyl-ene-bridge C atom and the linked tetra-hydro-pyrimidinium N atom are 1.457?(3) and 1.465?(3)?Å, values typical for C-N single bonds. The mol-ecules co-crystallized with H2O and EtOH mol-ecules from the solvent. In the crystal, there is a zigzag chain along [010] of water mol-ecules linked by one of the Br(-) anions via O-H?Br hydrogen bonds. The second Br(-) anion is hydrogen bonded (O-H?Br) to the ethanol solvent mol-ecule. There are also a number of C-H?Br and C-H?O hydrogen bonds present, leading to the formation of a two-dimensional network lying parallel to the bc plane.

| S-EPMC3884396 | biostudies-literature

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