ChemInform Abstract: A 1H and 13C NMR and X-Ray Diffraction Study of the Tautomerism of 2-Hydroxy- and 2,3-Dihydroxypyridine N-Oxides. X-Ray Molecular Structure of 2-Hydroxypyridine N-Oxide.

ChemInform ◽  
1990 ◽  
Vol 21 (41) ◽  
Author(s):  
P. BALLESTEROS ◽  
R. M. CLARAMUNT ◽  
T. CANADA ◽  
C. FOCES-FOCES ◽  
F. HERNANDEZ CANO ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
13C Nmr ◽  
X Ray Diffraction ◽  
1H And 13C Nmr ◽  
X Ray

Molecular structure in the solid state (X-Ray diffraction) and in solution (1H and 13C NMR) of nifurtimox and two pyrazol-1-Yl analogs

2010 ◽  
Vol 97 (11-12) ◽  
pp. 1055-1066 ◽  
Author(s):  
Ma de la Concepción Foces-Foces ◽  
Félix Hernández Cano ◽  
Rosa Ma Claramunt ◽  
Alain Fruchier ◽  
José Elguero
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
13C Nmr ◽  
X Ray Diffraction ◽  
1H And 13C Nmr ◽  
X Ray

Crystal and molecular structure of diorganoammonium oxalatotrimethylstannate, [R2NH2][Me3Sn(C2O4)] (R=i-Bu, cyclohexyl)

2011 ◽  
Vol 34 (5-6) ◽  
pp. 127-130 ◽  
Author(s):  
Yaya Sow ◽  
Libasse Diop ◽  
Kieran C. Molloy ◽  
Gabrielle Kociok-Köhn
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Diffraction Study ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Trans Complex ◽  
A Chain ◽  
Distorted Trigonal Bipyramidal

Abstract The title compounds [R2NH2][C2O4SnMe3](R=i-Bu, Cy), in which tin atoms adopt a distorted trigonal bipyramidal configuration, have been prepared and submitted to an X-ray diffraction study. These compounds have been obtained from the reaction of (Cy2NH2)2C2O4·H2O or (i-Bu2NH2)2C2O4 with SnMe3Cl. In both [R2NH2][C2O4SnMe3] compounds, the trans complex has an almost regular trigonal bipyramidal geometry around the tin atom. The SnMe3 residues are connected as a chain with bridging oxalate anions in a trans-SnC3O2 framework, the oxygen atoms being in axial positions. The cations connect linear adjacent chains through NH…O hydrogen bonds giving layered structures.

Baeyer-Villiger Oxidation of 10-Methyl-9-Anthraldehyde: Formation and Photochemical Dimerization of 9-Formyloxy-10-methylanthracene

1988 ◽  
Vol 41 (12) ◽  
pp. 1977 ◽  
Author(s):  
HD Becker ◽  
BW Skelton ◽  
AB Turner ◽  
AH White
Keyword(s):  
Molecular Structure ◽  
Hydrogen Peroxide ◽  
Acetic Acid ◽  
Sulfuric Acid ◽  
Diffraction Study ◽  
Crystalline State ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tail Structure ◽  
Villiger Oxidation

Oxidation of 10-methyl-9-anthraldehyde with hydrogen peroxide in acetic acid in the presence of sulfuric acid gives 9-formyloxy-10-methylanthracene which dimerizes in solution upon exposure to light. The head-to-tail structure of the 4π+4π photodimer was established by a single-crystal X-ray diffraction study. In the crystalline state, the molecular structure is centrosymmetric, and the length of the photochemically formed bonds 1.646(4)Ǻ. Crystals are monoclinic, P21/c, a 7.980(5), b 16.143(7), c 9.571(3)Ǻ, β 114.38(3)°, Z=2 dimers; R was 0.041 for 1362 'observed' diffractometer reflections.

A Novel Methylene Dithioether as a Ligand: Synthesis and Molecular Structure of a Zinc(II) Complex with N4S2 Coordination Environment

2003 ◽  
Vol 58 (10) ◽  
pp. 1027-1029 ◽  
Author(s):  
F. Ekkehardt Hahn ◽  
Christoph Jocher ◽  
Henning Schröder
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
Aluminum Hydroxide ◽  
Zinc Atom ◽  
X Ray Diffraction ◽  
Coordination Environment ◽  
X Ray ◽  
Octadentate Ligand ◽  
Ligand Synthesis ◽  
Perchlorate Hexahydrate

The octadentate ligand [N(CH2CH2NH2)(CH2CH2CH2OH)(CH2CH2S)]2CH2, (NNOS-232)2CH2, was synthesized accidentally by the reaction of the unsymmetrically substituted tripod [N(CH2CH2NH2)(CH2CH2CH2OH)(CH2CH2SH)], NNOS-232, with dichloromethane in the presence of aluminum hydroxide. Ligand (NNOS-232)2CH2 was reacted with zinc bis(perchlorate) hexahydrate to yield the complex [Zn((NNOS-232)2CH2)](ClO4)2 1 exhibiting a distorted octahedrally coordinated zinc atom in an N4S2 coordination environment, as shown by an X-ray diffraction study.

scholarly journals Synthesis and Characterization of New Diiron and Diruthenium μ-Aminocarbyne Complexes Containing Terminal S-, P- and C-Ligands

2007 ◽  
Vol 62 (3) ◽  
pp. 427-438 ◽  
Author(s):  
Vincenzo G. Albano ◽  
Luigi Busetto ◽  
Fabio Marchetti ◽  
Magda Monari ◽  
Stefano Zacchini ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
Coordination Mode ◽  
Bond Cleavage ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dithiocarbamate Ligand ◽  
High Yields

The diiron aminocarbyne complexes [Fe2{μ-CN(Me)(R)}(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3] (R = Xy1, 1a; R = Me, 1b; R = CH2Ph, 1c; Xy1 = 2,6-Me2C6H3) undergo replacement of the coordinated nitrile by halides, diethyldithiocarbamate, and dicyanomethanide to give [Fe2{μ-CN(Me) (R)}(μ-CO)(CO)(X)(Cp)2] complexes (R = Me, X = Br, 4a; R = Me, X = I, 4b; R = CH2Ph, X = Cl, 4c; R = CH2Ph, X = Br, 4d; R = CH2Ph, X = I, 4e; R = Xy1, X = SC(S)NEt2, 5a; R = Me, X = SC(S)NEt2, 5b; R = Xy1, X = CH(CN)2, 7), in good yields. The molecular structure of 5a shows an unusual η1 coordination mode of the dithiocarbamate ligand. Similarly, treatment of [M2{μ-CN(Me) (R)}(μ-CO)(CO)(NCMe)(Cp)2][SO3CF3] (M = Fe, R = Xy1, 1a; M = Fe, R = Me, 1b; M = Ru, R = Xy1, 2a; M = Ru, R = Me, 2b) with a series of phosphanes generates the cationic complexes [M2{μ- CN(Me)(R)}(μ-CO)(CO)(P)(Cp)2][SO3CF3] (M = Fe, R = Xy1, P = PPh2H, 6a; M = Fe, R = Xy1, P = PPh3, 6b; M = Fe, R = Xy1, P = PMe3, 6c; M = Fe, R = Me, P = PMe2Ph, 6d; M = Fe, R = Me, P = PPh3, 6e; M = Fe, R = Me, P = PMePh2, 6f; M = Ru, R = Xy1, P = PPh2H, 6g; M = Ru, R = Me, P = PPh2H, 6h), in high yields. The molecular structure of 6a has been elucidated by an X-ray diffraction study. The reactions of [Fe2{μ-CN(Me)(Xyl)}(μ-CO)(CO)(NCR′)(Cp)2][SO3CF3] [R′ = Me, 1a; R′ = tBu, 3] with PhLi and PPh2Li yield [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(Ph)(Cp)2] (8) and [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(PPh2)(Cp)2] (9), respectively. The molecular structure of 8 has been ascertained by X-ray diffraction. Conversely, the reaction of 1a with MeLi generates the aminoalkylidene compound [Fe2{C(Me)N(Me)(Xy1)}(μ-CO)2(CO)(Cp)2] (10).Finally, the acetone complex [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(OCMe2)(Cp)2][SO3CF3] (12) reacts with lithium acetylides to give complexes [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO)(C≡CR)(Cp)2] (R = p-C6H4Me, 11a; R = Ph, 11b; R = SiMe3, 11c), in high yields. Filtration through alumina of a solution of 11a in CH2Cl2 results in hydration of the acetylide group and C-Si bond cleavage, affording [Fe2{μ-CN(Me)(Xy1)}(μ-CO)(CO){C(O)Me}(Cp)2] (12).

The molecular structure of N,N′-disulfinyl-3,4,5,6-tetrafluoro-1,2-diaminobenzene: A computational and X-ray diffraction study

2010 ◽  
Vol 978 (1-3) ◽  
pp. 158-162 ◽  
Author(s):  
Arkady G. Makarov ◽  
Irina Yu. Bagryanskaya ◽  
Yuri V. Gatilov ◽  
Alexander Yu. Makarov ◽  
Karla Tersago ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray

Synthesis, Characterization, and Catalytic Activity of a Series of Aluminium–Amidate Complexes

2015 ◽  
Vol 68 (3) ◽  
pp. 357 ◽  
Author(s):  
Kevin P. Yeagle ◽  
Darryl Hester ◽  
Nicholas A. Piro ◽  
William G. Dougherty ◽  
W. Scott Kassel ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Nmr Spectroscopy ◽  
Diffraction Analysis ◽  
13C Nmr ◽  
13C Nmr Spectroscopy ◽  
X Ray Diffraction ◽  
Metathesis Reaction ◽  
Chloride Complexes ◽  
1H And 13C Nmr ◽  
X Ray

The aluminium complexes {[κ2-N,O-(t-BuNCOPh)]AlMe2}2 (2), [κ2-N,O-(t-BuNCOPh)]2AlMe (3), and [κ2-N,O-(t-BuNCOPh)]3Al (4) were prepared through the protonolysis reaction between trimethylaluminium and one, two, or three equivalents, respectively, of N-tert-butylbenzamide. Complex 2 was also prepared via a salt metathesis reaction between K(t-BuNCOPh) and dimethylaluminium chloride. Complexes 2–4 were characterized using 1H and 13C NMR spectroscopy. Single-crystal X-ray diffraction analysis of the complexes corroborated ligand : metal stoichiometries and revealed that all the amidate ligands coordinate to the aluminium ion in a κ2 fashion. The Al–amidate complexes 2–4 were viable catalyst precursors for the Meerwein–Ponndorf–Verley–Oppenauer reduction–oxidation manifold, successfully interconverting several classes of carbonyl and alcohol substrates.

scholarly journals SYNTHESIS AND STRUCTURE OF TWO PALLADIUM(II) COMPLEXES BEARING ACETONITRILE AND N-HETEROCYCLIC CARBENE DERIVED FROM IMIDAZOLE

2019 ◽  
Vol 57 (4) ◽  
pp. 468
Author(s):  
Mai Thi Cam Truong ◽  
Chi Thi Thanh Nguyen
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
13C Nmr ◽  
Nmr Spectra ◽  
High Yield ◽  
13C Nmr Spectra ◽  
Trans Position ◽  
X Ray Diffraction ◽  
Imidazolium Chloride ◽  
X Ray

The reaction of [PdCl2(CH3CN)2] (1) with either 1,3-bis(2,4,6-trimethylphenyl)imidazolium chloride (IMes·HCl) or 1,3-bis(2,6-diisoproylphenyl)imidazolium chloride (IPr·HCl) in the present of Ag2O afforded two mixed monocarbene-CH3CN complexes, namely trans-[PdCl2(CH3CN)(IMes] (2) and trans-[PdCl2(CH3CN)(IPr)] (3), with the high yield (85-90%). The structure of 2 and 3 were elucidated by ESI mass, IR, 1H NMR and 13C NMR spectra. For 2, single-crystal X-ray diffraction study was also carried out. The results show that the CH3CN in 2 and 3 coordinates with Pd(II) via the N atom, the deprotonated imidazolium salts are bound up with Pd(II) via the C atom (NCHN) and occupy trans-position in comparison with the CH3CN.

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