Crystal Structure Of Tris Research Articles

Synthesis and Crystal Structure of Tris(3-fluorophenyl)antimony Bis(2-methylcarboranylcarboxylate)

Synthesis and Crystal Structure of Tris(3-fluorophenyl)antimony Bis(2-methylcarboranylcarboxylate)

Induction of Λ-helicity in a zinc complex with an alanine-appended aminopyridine ligand.

The crystal structure of tris[dimethyl 5-({1-[(pyridin-2-yl-κN)carbamoyl-κO]ethyl}carbamoyl)benzene-1,3-dicarboxylate]zinc(II) dinitrate acetonitrile trisolvate, [Zn(C19H19N3O6)3](NO3)2·3CH3CN or [Zn(L)3](NO3)2·3CH3CN, (1), has been determined by single-crystal X-ray diffraction. The neutral ligand L coordinates to the Zn2+ cation in a bidentate fashion via the pyridine N atom and an amide O atom, forming a six-membered chelate ring. The Λ-helical chirality of the Zn2+ coordination sphere is induced by pendant L-alanine residues through stacking interactions between the arene groups of two coordinated ligands, assisted by a hydrogen bond between amide groups bonded to the stacked arene rings. The third ligand is coordinated to the Zn2+ cation by the same six-membered chelate ring, but in the opposite direction with respect to the analogous chelate rings of the first two coordinated ligands. Besides ionic interactions between [ZnL3]2+ complexes and NO3- anions, several types of hydrogen bonds and intermolecular stacking interactions contribute to the stability of the solid-state phase.

Synthesis, Molecular, and Crystal Structure of Tris(2-carbamoylmethoxyphenyl)phosphine Oxide

New tripodal ligand, tris(2-carbamoylmethoxyphenyl)phosphine oxide, has been synthesized via the alkylation of tris(2-hydroxyphenyl)phosphine oxide with chloroacetamide. The ligand structure has been studied by means of IR and NMR (1H, 31P) spectroscopy as well as X-ray diffraction.

Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III)

Synthesis and Crystal Structure of Tris[2-(2-imidazolinyl)phenolato]ruthenium(III)

Biological Activity of Protic Ionic Liquids Based on Tris(2-hydroxyethyl)ammonium Salts and the Crystal Structure of Tris(2-hydroxyethyl)ammonium Malate

The antimicrobial and growth-stimulating activities of nine protic ionic liquids (PILs)—tris(2-hydroxyethyl)ammonium salts (protatranes) of cinnamic, benzoic, salicylic, oxalic, malonic, succinic, malic and citric acids—were investigated for the first time. It was found that tris(2-hydroxyethyl)ammonium salts of cinnamic, benzoic and malonic acids have a positive impact on seeds germination and growth characteristics of garden cress (Lepidium sativum L.) sprouts. All the investigated PILs exhibited selective activity against Staphylococcus aureus bacteria. PILs based on tris(2-hydroxyethyl)ammonium malate with the melting point of 41°C were isolated as crystals to perform a comparative study of the crystal structure by single-crystal X-ray diffraction. In contrast to cations in tris(2-hydroxyethyl)ammonium succinate, cations in malate have a tricyclic endo conformation that is most typical of tris(2-hydroxyethyl)ammonium salts.

Triaminocyclopropenium Halide and Triiodide Salts: The Formation of Cyclopropenium Dimers

The crystal structures of tris(ethylmethylamino)cyclopropenium bromide and tris(allylmethylamino)cyclopropenium chloride are found to contain weak dimers of the cyclopropenium cation whereas the structure of the mixed salt of tris(dimethylamino)cyclopropenium chloride and dimethylammonium chloride reveals half of the cyclopropenium cations to have formed dimers and the other not to have formed dimers. These structures are compared to three related triiodide salts ([C3(NMeEt)3]I3, [C3(NEt2)3]I3 and [C3(NBu2)3]I3) as well as the previously-reported salts [C3(NEtMe)3]Cl, [C3(NH2)3]Cl, [C3(NH2)3]I and [C3(NEt2)3]I. The distances between the C3 centroids of the staggered dimers are at the short end of those normally found in π-stacked neutral arenes, let alone charged aromatic rings. Factors leading to the formation of dimers and the effect of dimer formation on the cyclopropenium structures are investigated. The crystal structures of triaminocyclopropenium halide salts are shown to exhibit dimer formation in some cases, but not in others, whereas corresponding triiodide salts only form cationic monomers in the solid state.

Molecular and crystal structures of tris(3-methylphenyl)phosphine and its chalcogenides

The molecular and crystal structures of tris(3-methylphenyl)phosphine, tris(3-methylphenyl)phosphine oxide, tris(3-methylphenyl)phosphine sulfide and tris(3-methylphenyl)phosphine selenide were determined by X-ray diffraction. It was previously indicated that phosphine oxide should be isostructural with phosphine sulfide and phosphine selenide. However, this statement was not confirmed experimentally: the geometrical structure of the phosphine oxide is closer to the geometry of the phosphine. Tris(3-methylphenyl)phosphine, tris(3-methylphenyl)phosphine sulfide and tris(3-methylphenyl)phosphine selenide crystallize in the orthorhombic space group Pbca, while the phosphine oxide molecules in the crystal are packaged in the space group Pca21 with screw axis.

Two tris-(3,5-disubstituted phen-yl)phosphines and their isostructural PV oxides.

The crystal structures of tris-(3,5-di-methyl-phen-yl)phosphine (C24H27P), (I), tris-(3,5-di-methyl-phen-yl)phosphine oxide (C24H27OP), (II), tris-(4-meth-oxy-3,5-di-methyl-phen-yl)phosphine (C27H33O3P), (III), and tris-(4-meth-oxy-3,5-di-methyl-phen-yl)phosphine oxide (C27H33O4P), (IV), are reported. The strucure of (III) has been described before [Romain et al. (2000 ▸). Organometallics, 19, 2047-2050], but it is rereported here on the basis of modern area-detector data and to facilitate comparison with the other structures reported here. Compounds (I) and (II) crystallize isostructurally in P21/c. Similarly, (III) and (IV) crystallize isostructurally in Pbca. The conformations of (I) and (II) in the solid state deviate strongly from helical, whereas those of (III) and (IV) are found to be closer to an ideal threefold rotational symmetry. The pyramidality indices, ∑(C-P-C), are 305.35 (16), 317.23 (15), 307.2 (4) and 318.67 (18)° for (I), (II), (III) and (IV), respectively. Each is found to be more pyramidal than Ph3P or Ph3PO. Hybrid DFT calculations incorporating terms for dispersion provide evidence that the causes of the increased pyramidality, despite the 3,5-dimethyl group substitution, include dispersion inter-actions. The calculated ∑(C-P-C) values are 304.8° for both (I) and (III) and 317.4° for both (II) and (IV), with no difference arising from the substitution at ring position 4.

Synthesis, crystal structure, thermal and physical properties of (C6H18N2)3[Sb4Cl18

The crystal structure of tris (N, N, N’, N’-tetramethylethylenediammonium) octadecachloridotetraantimonate (III) is built up of [(CH3)2NH(CH2)2NH(CH3)2]2+ cations connected to the one [Sb4Cl18]6n−n anionic chains by N—H⋯Cl hydrogen bonds. In this study, we found that this ionic compound exhibits a triclinic P1¯↔ monoclinic P21/n structural phase transition at about (T1=356±2K) which has been characterized by X-rays powder analysis, DSC, AC conductivity and dielectric measurements. The optical band gap determined by diffuse reflection spectroscopy is 4.38eV for a direct allowed transition. Impedance spectroscopy measurements of (C6H18N2)[Sb4Cl18] were conducted under various frequency settings (from 20Hz to 2MHz) and over the temperature range 309–398K. The Cole-Cole (Z” versus Z’) plots are fitted to two equivalent circuits models. Combined impedance and modulus plots were used as tools to analyze the sample behaviour as a function of frequency at different temperatures. The frequency dependence of the AC conductivity is interpreted in terms of Jonscher’s law. The temperature dependence of the DC and the bulk σp conductivities are well explained by Arrhenius law. The conduction mechanisms are attributed to the quantum mechanical tunnelling (QMT) model in phase I and to the small polaron tunnelling (SPT) model in phase II. Our study has also revealed that the relaxation times are thermally activated and that the dipole process has a non-Debye behaviour.

ChemInform Abstract: Crystal Structure of Tris(hydroxylammonium) Orthophosphate.

AbstractSingle crystals of (H3NOH)3PO4 are formed from a 1:3 molar mixture of H3PO4 and NH2OH upon cooling.

Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers.

The crystal structures of tris(ethylmethylamino)-cyclopropenium chloride and tris(diethylamino)-cyclopropenium iodide reveal the presence of closely bound dicationic dimers formed from two closed-shell monomer units. The distances between the C3 centroids of the staggered monomers are at the short end of those normally found in π-stacked neutral arenes, let alone charged aromatic rings. Computational analysis reveals that short-range interactions are dominated by strong dispersion forces, enabling metastable dicationic dimers to form without covalent intermolecular bonding. Surrounding counterions then provide a background source of charge balance, imparting strong thermodynamic stability to the system. Additionally, these counterions form a weak but attractive electrostatic bridge between the monomer units, contributing to the surprisingly short observed intermolecular C3-C3 centroid distance.

Crystal structure of tris-(N-methyl-salicylaldiminato-κ(2) N,O)vanadium(III).

The structure of the title complex, [V(C8H8NO)3], comprises neutral and discrete complexes, in which the VIII cation is coordinated by three anionic N-methyl­alicylaldiminate ligands within a slightly distorted mer-N3O3 octa­hedral geometry. In the crystal structure, the mol­ecules are linked via C—H⋯O hydrogen bonds into supra­molecular chains that extend along the c axis.

Crystal structure of tris-(hydroxyl-ammonium) orthophosphate.

The crystal structure of the title salt, ([H3NOH]+)3·[PO4]3−, consists of discrete hydroxyl­ammonium cations and ortho­phos­phate anions. The atoms of the cation occupy general positions, whereas the anion is located on a threefold rotation axis that runs through the phospho­rus atom and one of the phosphate O atoms. In the crystal structure, cations and anions are linked by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional network. Altogether, one very strong O—H⋯O, two N—H⋯O hydrogen bonds of medium strength and two weaker bifurcated N—H⋯O inter­actions are observed.

Synthesis and structure of AUO2(n-C3H7COO)3 (A = Rb or Cs) and RbUO2(n-C4H9COO)3

With the aim of exploring the effect of the counter ion and the length of the alkyl chain on crystal structures of tris(monocarboxylato)uranylates of alkali metals, all the known to date data were systematized and three novel butyrate and valerate complexes of the uranyl ion were prepared and characterized using X-ray crystallography and IR spectroscopy. The novel compounds have the AUO2(n-C3H7COO)3 (А=Rb (I) or Cs (II)) and RbUO2(n-C4H9COO)3 (III) composition. The majority of compounds with the A[UO2L3] composition (A=Na+, K+, Rb+ or Cs+; L=acetate, acrylate, propionate, butyrate and valerate) crystallize in chiral space groups. Although the main structural units of these complexes are mononuclear anionic tris(monocarboxylato)uranylate(VI) complexes with a hexagonal bipyramidal geometry of the uranium(VI) atom, the coordination polyhedron of the alkali cation and the crystal symmetry are strongly affected by the ratio between the cation radius and the length of the alkyl chain.

Redetermination of the crystal structure of tris(2-hydroxy-3,5-dimethylbenzyl) amine: localisation of hydrogen atoms, C27H33NO3

Redetermination of the crystal structure of tris(2-hydroxy-3,5-dimethylbenzyl) amine: localisation of hydrogen atoms, C27H33NO3

Immunoactive ionic liquids based on 2-hydroxyethylamines and 1-R-indol-3-ylsulfanylacetic acids. Crystal and molecular structure of immunodepressant tris-(2-hydroxyethyl)ammonium indol-3-ylsulfanylacetate

Abstract Immunoactive ionic liquids (2-hydroxyethyl)ammonium 1-R-indol-3-ylsulfanyl-acetates HN+R1R2(CH2CH2OH) ∙ -O(O)CCH2S-Ind-R3-1 (1-5), were synthesized by the reaction of (2-hydroxyethyl)amines with indol-3-ylsulfanylacetic- or 1-benzylindol-3-ylsulfanylacetic acid. 1: R1 = R2 = CH2CH2OH, R3 = H; 2: R1 = СН3,R2=CH2CH2OH, R3 = H; 3: R1 = R2 = CH3, R3 = H; 4: R1 = R2 = CH2CH2OH, R3 = СH2С6Н5; 5: R1 = СН3; R2 = CH2CH2OH; R3 = СH2С6Н5. The structure of each compound was elucidated by IR, NMR 1H, 13С, and 15N techniques and their composition was confirmed by elemental analysis. The crystal structure of tris-(2-hydroxyethyl) ammonium indol-3-ylsulfanylacetate was investigated by X-ray diffraction analysis. Immunoactive properties of the title compounds were screened.

Synthesis and crystal structure of tris (1, 10 phenanthroline)-iron (II) tetra (4-Nintro-phenyl-urea) bis chloride, [Fe(phen)3][Cl2·L4] chelates and evaluation of their efficacy as iron source for tomato in nutrient solution culture

Supplying a sufficient amount of available Fe for plant growth in hydroponic nutrient solutions is a great challenge. The chelators commonly used to supply Fe in nutrient solutions have several disadvantages and may negatively affect plant growth. In this research study we have synthesized certain Iron by 1,10-phenanthroline [(Fe(phen)3)(Cl2·L4)] (L = 4-Nintro-phenyl-urea), and evaluated their efficacy as Fe source for a tomato cultivar grown in nutrient solution. Application of Fe-chelates significantly increased root and shoot dry matter yield tomato cultivar compared with Fe-EDTA and FeCl3. Tomato plants supplied with [Fe(phen)3][Cl2·L4] chelates also accumulated significantly higher levels of Fe and N in their roots and shoots compared with those supplied with Fe-EDTA and FeCl3. The results obtained indicated that using Fe-phen chelates in the nutrient solution could supply a sufficient amount of Fe for plant uptake and also improve root and shoot growth of tomato plants. According to the results, Fe-phen chelates can be used as an alternative for Fe-EDTA to supply Fe in nutrient solutions.

Single‐Ion Magnetism in a Luminescent Er3+ β‐Diketonato Complex with Multiple Relaxation Mechanisms

AbstractIn the crystal structure of tris(2,2,6,6‐tetramethyl‐3,5‐heptanedionato)mono(bathophenanthroline)erbium(III), C57H73ErN2O6, the Er3+ ion is in an antiprismatic environment, surrounded by two N atoms and six O atoms. The β‐diketonato ligands show structural disorder. The ac susceptibility studies conducted at frequencies from 33 to 9995 Hz and at temperatures from 1.7 to 10 K revealed that the application of a static magnetic field induces a slow magnetic relaxation. Two relaxation modes (fast relaxation = FR; slow relaxation = SR) could be distinguished with energy barriers UFR/kB = 15.6 K and USR/kB = 22.4 K and relaxation times of 10–6 and 10–4 s, respectively. The Er3+ compound is luminescent in the solid state, emitting in the near IR region.

Molecular and crystal structure of tris(2-hydroxyphenyl)phosphine oxide

Molecular and crystal structure of tris(2-hydroxyphenyl)phosphine oxide

Molecular and crystal structure of tris-(2-hydroxyethyl)ammonium 4-chlorophenoxy acetate

Tris-(2-hydroxyethyl)ammonium 4-chlorophenoxy acetate has been synthesized and characterized by 1H NMR spectra. The molecular structure of this compound has been established by single-crystal X-ray diffractometry (a = 7.5298(23) A, b = 22.8112(46) A, c = 10.0921(16) A, β = 111.42(2)°, V = 1613.7(7) A3, sp. gr. P21/c, dcalcd = 1.382 g/cm3). In a cation, the hydrogen atom, in the presence of a nitrogen atom, forms three intramolecular hydrogen bonds with the O atoms of hydroxyl groups [2.29(3)–2.31(3) A]. At the same time, all three cation hydroxyl groups are involved in the formation of three intermolecular H bonds with oxygen atoms of the carboxyl anion group [H-O = 1.81(5)−2.06(4) A].