Outputs (16)

Transition metal complexes with pyrazole based ligands, part 18: new binuclear Cu(I), Cu(II) and Co(II) complexes with 3,5-dimethyl-l-thiocarboxamide pyrazole: synthesis, structural and magnetic studies (2004)
Journal Article
Evans, I., Howard, J., Howard, L., Evans, J., Jacimovic, Z., Jevtovic, V., & Leovac, V. (2004). Transition metal complexes with pyrazole based ligands, part 18: new binuclear Cu(I), Cu(II) and Co(II) complexes with 3,5-dimethyl-l-thiocarboxamide pyrazole: synthesis, structural and magnetic studies. Inorganica Chimica Acta, 357(15), 4528-4536

Three new binuclear metal complexes of the formulas [(Cu2L2Cl4)-L-II] (1), [(Cu2L2Br2)-L-I] (2) and [(Co2L2Cl4)-L-II] (3) (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) have been synthesized and characterized by chemical analysis, FT-IR spectroscopy,... Read More about Transition metal complexes with pyrazole based ligands, part 18: new binuclear Cu(I), Cu(II) and Co(II) complexes with 3,5-dimethyl-l-thiocarboxamide pyrazole: synthesis, structural and magnetic studies.

The R-1(2)(6) hydrogen-bonded synthon in neutral urea and metal-bound halide systems (2004)
Journal Article
Turner, D., Smith, B., Goeta, A., Evans, I., Tocher, D., Howard, J., & Steed, J. (2004). The R-1(2)(6) hydrogen-bonded synthon in neutral urea and metal-bound halide systems. CrystEngComm, 6, 633-641

The recurrence of the R-1(2)(6) motif between urea and metal bound halides is explored through studies in the CSD, including examples of the closely related thiourea and guanidine-based structures. A series of compounds containing the isomeric pyridy... Read More about The R-1(2)(6) hydrogen-bonded synthon in neutral urea and metal-bound halide systems.

Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans (2004)
Journal Article
Smith, C., Smith, P., Thomas, R., Robins, E., Collings, J., Dai, C., …Marder, T. (2004). Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans. Journal of materials chemistry, 14(3), 413-420. https://doi.org/10.1039/b314094f

The compounds 4-ROC6F4C[triple bond, length as m-dash]CPh (4) where R = Me (a), Et (b), Prn (c), Pri (d), Bun (e), n-C5H11 (f), PhCH2 (g), PhCH2CH2 (h), 4-MeC6H4 (i), 4-EtC6H4 (j) and menthyl (k), have been prepared by reaction of C6F5C[triple bond,... Read More about Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans.

A study of the thermal and light induced spin transition in FeL2 (BF4)(2) and FeL2 (ClO4)(2) L=2,6-di(3-methylpyrazol-1-yl)pyrazine (2004)
Journal Article
Money, V., Elhaik, J., Evans, I., Halcrow, M., & Howard, J. (2004). A study of the thermal and light induced spin transition in FeL2 (BF4)(2) and FeL2 (ClO4)(2) L=2,6-di(3-methylpyrazol-1-yl)pyrazine. Dalton Transactions, 43(1), 65-69. https://doi.org/10.1039/b311262b

The spin crossover compounds [FeL2](BF4)(2), L = 2,6-di(3-methylpyrazol-1-yl) pyrazine and [FeL2](ClO4)(2) have very unusual two stage spin transitions which are initially steep and then become more gradual. A detailed variable temperature single cry... Read More about A study of the thermal and light induced spin transition in FeL2 (BF4)(2) and FeL2 (ClO4)(2) L=2,6-di(3-methylpyrazol-1-yl)pyrazine.

Variable temperature neutron powder diffraction study to determine the magnetic interactions in Sr(2)LnRuO(6) (Ln = Ho and Tb) (2004)
Journal Article
Parkinson, N., Hatton, P., Howard, J., Ritter, C., Ibberson, R., & Wu, M. (2004). Variable temperature neutron powder diffraction study to determine the magnetic interactions in Sr(2)LnRuO(6) (Ln = Ho and Tb). Journal of Physics: Condensed Matter, 16(43), 7611-7624. https://doi.org/10.1088/0953-8984/16/43/005

Neutron powder diffraction has been used to study the two title compounds, Sr2HoRuO6 and Sr2TbRuO6, in order to determine the crystal and magnetic structures of the materials. Both materials have a distorted double perovskite structure and at tempera... Read More about Variable temperature neutron powder diffraction study to determine the magnetic interactions in Sr(2)LnRuO(6) (Ln = Ho and Tb).

Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N `)metal(II) dinitrate, with metal = Co and Ni (2004)
Journal Article
Jacimovic, Z., Leovac, V., Szecsenyi, K., Howard, J., & Evans, I. (2004). Transition metal complexes with pyrazole-based ligands. XIX. Diaquabis(3,5-dimethyl-1H-pyrazole-1-carboxamidine-kappa N-2,N `)metal(II) dinitrate, with metal = Co and Ni. Acta crystallographica. Section C, Crystal structure communications, 60(10), M467-M470. https://doi.org/10.1107/s0108270104017433

Mo2P4O15 - the most complex oxide structure solved by single crystal methods? (2004)
Journal Article
Lister, S., Evans, I., Howard, J., Coelho, A., & Evans, J. (2004). Mo2P4O15 - the most complex oxide structure solved by single crystal methods?. Chemical Communications, 2540-2541. https://doi.org/10.1039/B408413F

We report the crystal structure and phase transitions of Mo2P4O15 which, despite a simple chemical formula, has 441 crystallographically unique atoms in its asymmetric unit and thus has the most complex structure of any extended oxide reported to dat... Read More about Mo2P4O15 - the most complex oxide structure solved by single crystal methods?.

Isogentisin (1,3-dihydroxy-7-methoxyxanthone) (2004)
Journal Article
Evans, I., Howard, J., Savikin-Fodulovic, K., & Menkovic, N. (2004). Isogentisin (1,3-dihydroxy-7-methoxyxanthone). Acta crystallographica. Section B, Structural science, 60, O1557-O1559

The crystal structure of isogentisin, C14H10O5, a natural product isolated from Gentiana lutea, has been determined. The phenolic ring system is essentially planar and the displacement of the methoxy substituent from the mean molecular plane is very... Read More about Isogentisin (1,3-dihydroxy-7-methoxyxanthone).

Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions (2004)
Journal Article
Hermitage, S., Howard, J., Jay, D., Pritchard, R., Probert, M., & Whiting, A. (2004). Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions. Organic and Biomolecular Chemistry, 2(17), 2451-2460. https://doi.org/10.1039/b407293f

The reaction of a para-methoxyaniline, ethyl glyoxalate-derived imine with a series of dienes has resulted in products, which initially suggest the operation of different modes of aza-Diels-Alder reaction. However, a more likely explanation is that a... Read More about Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.

Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X = F, OH or NH2) and related anions (2004)
Journal Article
Boyd, L., Clegg, W., Copley, R., Davidson, M., Fox, M., Hibbert, T., …Wade, K. (2004). Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X = F, OH or NH2) and related anions. Dalton Transactions, 2004(17), 2786-2799. https://doi.org/10.1039/b406422d

The structures of derivatives of phenyl-ortho-carborane bearing on the second cage hypercarbon atom a pi-donor substituent (F, OH, O-, NH2, NH- and CH2-) were investigated by NMR, X-ray crystallography and computational studies. The molecular structu... Read More about Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X = F, OH or NH2) and related anions.

A modular, self-assembled, separated ion pair binding system (2004)
Journal Article
Turner, D., Spencer, E., Howard, J., Tocher, D., & Steed, J. (2004). A modular, self-assembled, separated ion pair binding system. Chemical Communications, 1352-1353. https://doi.org/10.1039/B402882A

Assembly of a silver(I) complex of a simple pyridyl ligand containing a urea derivative is templated by nitrate; analogous complexes of Ag2SO4 and AgCF3SO3 exhibit radically different geometries.

Synthesis, characterization and crystal structure of a novel Ni(II) complex, Ni(L-H)(2) (L=3,5-dimethyl-1-thiocarboxamidopyrazole) (2004)
Journal Article
Evans, I., Howard, J., Szecsenyi, K., Leovac, V., & Jacimovic, Z. (2004). Synthesis, characterization and crystal structure of a novel Ni(II) complex, Ni(L-H)(2) (L=3,5-dimethyl-1-thiocarboxamidopyrazole). Journal of Coordination Chemistry, 57(6), 469-476

A new complex, Ni(L-H)(2), L = 3,5-dimethyl-1-thiocarboxamidopyrazole, has been synthesized and characterized by IR spectroscopy, magnetic and electrical measurements. Its crystal structure was solved from powder X-ray diffraction data. The compound... Read More about Synthesis, characterization and crystal structure of a novel Ni(II) complex, Ni(L-H)(2) (L=3,5-dimethyl-1-thiocarboxamidopyrazole).

The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12) (2004)
Journal Article
Venkatasubramanian, U., Donohoe, D., Ellis, D., Giles, B., Macgregor, S., Robertson, S., …Wade, K. (2004). The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12). Polyhedron, 23(4), 629-636

The structures of 1-Me-2-COOH-1,2-closo-C2B10H10 (1), 1-Ph-2-COOH-1,2-closo-C2B10H10 (2) and 1-Ph-2-COPh-1,2-closo-C2B10H10 (3) have been determined by X-ray crystallography. In 1 the orientation of the COOH group is defined by theta(COOH) = 65.0(2)(... Read More about The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12).

An X-ray powder diffraction study of the spin-crossover transition and structure of bis (2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate (2004)
Journal Article
Money, V., Evans, I., Elhaik, J., Halcrow, M., & Howard, J. (2004). An X-ray powder diffraction study of the spin-crossover transition and structure of bis (2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate. Acta crystallographica. Section B, Structural science, 60, 41-45

The crystal structure of the iron(II) spin-crossover compound [Fe(C10H8N6)(2)](ClO4)(2) in the high-spin state has been solved from powder X-ray diffraction data using the DASH program and refined using Rietveld refinement. The thermal spin transitio... Read More about An X-ray powder diffraction study of the spin-crossover transition and structure of bis (2,6-dipyrazol-1-ylpyrazine)iron(II) perchlorate.

Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine (2004)
Journal Article
Entwistle, C. D., Batsanov, A. S., Howard, J. A. K., Fox, M. A., & Marder, T. B. (2004). Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine. Chemical Communications, 2004(6), 702-703. https://doi.org/10.1039/B316250H

Reaction of 2,5-diethynylpyridine with dimesitylborane, [(Mes)(2)BH](2) (Mes = mesityl = 2,4,6-Me3C6H2), gave the unexpected tris-hydroboration product 1-{(Mes)(2)B)-2-[Z-1-((Mes)(2)B)ethylidene]-5-[E-{(Mes)(2)B)vinyl]-1,2-d ihydropyridine, which has... Read More about Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine.

Crystal, Molecular and Electronic Structure of N,N'-diphenyl-N,N'-bis(2,4-dimethylphenyl)-(1,1'-biphenyl)-4,4'-diamine and the Corresponding Radical Cation (2004)
Journal Article
Low, P., Paterson, M., Puschmann, H., Goeta, A., Howard, J., Lambert, C., …Brown, B. (2004). Crystal, Molecular and Electronic Structure of N,N'-diphenyl-N,N'-bis(2,4-dimethylphenyl)-(1,1'-biphenyl)-4,4'-diamine and the Corresponding Radical Cation. Chemistry - A European Journal, 10(1), 83-91. https://doi.org/10.1002/chem.200305200

Oxidation of N,N'-diphenyl-N,N'-bis(3-methylphenyl)-(1,1'-biphenyl)-4,4'-diamine (TPD, 1a) and N,N'-diphenyl-N,N'-bis(2,4-dimethylphenyl)- (1,1'-biphenyl)-4,4'-diamine (1b) with SbCl5 affords the corresponding radical cations quantitatively. The crys... Read More about Crystal, Molecular and Electronic Structure of N,N'-diphenyl-N,N'-bis(2,4-dimethylphenyl)-(1,1'-biphenyl)-4,4'-diamine and the Corresponding Radical Cation.