Titan- und Vanadiumkomplexe mit 4-[1-(N′-Benzoylhydrazino)-l-phenylmethyliden]- 3-methyl-1-phenyl-pyrazol-5-on. Röntgenkristallstruktur von 4-[1-(N′-Benzoylhydrazino)-1-phenyl-methyliden]-3-methyl-1-phenyl- pyrazol-5-on / Titanium- and Vanadium Complexes of 4-[1-(N′-Benzoylhydrazino)-1-phenylmethylidene]-3-methyl-1-phenyl-pyrazol-5-one. Structure of 4-[1-(N′-Benzoylhydrazino)-1-phenyl-methylidene]-3-methyl-1-phenyl-pyrazol-5-one

1996 ◽  
Vol 51 (9) ◽  
pp. 1240-1244 ◽  
Author(s):  
Heide Kraudelt ◽  
Uwe Schilde ◽  
Heike Hefele ◽  
Eberhard Ludwig ◽  
Erhard Ludwig
Keyword(s):  
Molecular Structure ◽  
Nmr Spectroscopy ◽  
Mass Spectroscopy ◽  
Chemical Bonding ◽  
Vanadium Complexes ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Vanadium Ions ◽  
C Nmr

By reaction of 1-phenyl-3-methyl-4-benzoyl-pyrazol-5-one with benzoylhydrazine the tridentate diacidic ligand 4-[1-(N′-benzoylhydrazino)-1-phenyl-m ethylidene]-3-m ethyl-lphenyl-1-pyrazol-5-one (H2L) is formed which gives complexes ML2 with tetravalent titanium and vanadium ions. The ligand and its complexes were characterized by mass spectroscopy. The vanadium(IV) complex can be oxidised and reduced electrochemicallv. The chemical bonding in the titanium(IV) complex and in the ligand was studied by IR and 13C NMR spectroscopy.The molecular structure of 4-[1-(N′-benzoylhydrazino)-1-phenyl-methylidenel-3-m ethyl-lphenyl- pyrazol-5-one was determined by X-ray analysis. Crystal data: a = 9.159(3) Å, b = 11.014(4) Å, c = 11.136(5) Å, a = 90.11 (2)°, β = 101.84(3)°, γ = 113.01 (2)°; space group P1̄, Z = 2.

Vanadiumkomplexe mit dreizähnigen diaciden Liganden. Bis[2-(2′-hydroxyphenyl)-chinolin-8-olato]dimethoxo-dioxo-divanadium(V) -ein neuer Strukturtyp/Vanadium Complexes with Tridentate Diacidic Ligands. Bis[2-(2′-hydroxyphenyl)-8-quinolinolato)dimethoxo-dioxo-divanadium (V) - a New Structure Type

1997 ◽  
Vol 52 (6) ◽  
pp. 693-695 ◽  
Author(s):  
Heike Hefele ◽  
Erhard Uhlemann ◽  
Frank Weller
Keyword(s):  
Molecular Structure ◽  
Structure Analysis ◽  
Sulfate Solution ◽  
Structure Type ◽  
Vanadium Complexes ◽  
Crystal Data ◽  
Space Group ◽  
X Ray

A new binuclear vanadium( V) complex was synthesized by reaction of an aqueous oxovanadium(IV) sulfate solution with 2-(2′-hydroxyphenyl)-8-quinolinol dissolved in methanol. The molecular structure of the complex was determined by X-ray structure analysis. Crystal data: a = 10.004(3), b = 9.325(2), c = 15.089(3) Å; β = 91.95(2)°; space group P21/n, Z = 4.

Ligandenaustauschreaktionen von ReCl4(PPh3)2 mit Salicylaldehyd-2-hydroxy(mercapto)anil. Struktur von Bis[salicylaldehyd-2-hydroxyanilato(2-)]rhenium(IV) / Ligand Exchange Reactions of ReCl4 (PPh3)2 with Salicylaldehyde-2-hydroxy(mercapto)anil. Molecular Structure of Bis[salicylaldehyde-2-hydroxyanilato(2-)]rhenium(IV)

1997 ◽  
Vol 52 (1) ◽  
pp. 61-64 ◽  
Author(s):  
Stefan Sawusch ◽  
Uwe Schilde ◽  
Erhard Uhlemann
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Mass Spectroscopy ◽  
Ligand Exchange ◽  
Crystal Data ◽  
Reaction Products ◽  
Exchange Reactions ◽  
Space Group ◽  
X Ray

Ligand exchange reactions of tetrachloro-bis(triphenylphosphane)rhenium(IV) with sali-cylaldehyde-2-hydroxy(mercapto)anil were studied. The reaction products were characterized by mass spectroscopy. The crystal structure was determined by X-ray analysis for bis[sali-cylaldehyd-2-hydroxyanilato(2-)]rhenium(IV). Crystal data: a = 1987.1(18); b = 829.0(6), c = 1296.9(7) pm, β = 100.02(7)° ; space group C 2/c; Z = 4

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

Synthesis and molecular structure of tetraphenylarsonium Tetrakis(benzenethiolato)-oxorhenate(V)-Acetonitrile (1/1)

1983 ◽  
Vol 36 (2) ◽  
pp. 253 ◽  
Author(s):  
AC McDonell ◽  
TW Hambley ◽  
MR Snow ◽  
AG Wedd
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Crystal Data ◽  
Rhenium Atom ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography

The salts Ph4As [ReO(SPh)4].MeCN and Ph4As [ReO(SePh)4] have been synthesized and characterized. The crystal and molecular structure of the thiolate compound has been determined by X-ray crystallography which reveals a square-pyramidal arrangement of ligand atoms around the central rhenium atom of the [ReO(SPh)4]- anion. Crystal data: a 9.756(4), b 18.171(3), c 25.684(4) �, space group P212121, Z 4.

Structure cristalline et moléculaire d'un composé tricyclique contenant le cycle à dix chaînons dioxo diaza diphosphécine

1992 ◽  
Vol 70 (3) ◽  
pp. 809-816 ◽  
Author(s):  
Brigitte Duthu ◽  
Karim El Abed ◽  
Douraid Houalla ◽  
Robert Wolf ◽  
Joël Jaud
Keyword(s):  
Molecular Structure ◽  
Comparative Analysis ◽  
Double Bond ◽  
Mass Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Accurate Information ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nmr Parameters ◽  
C Nmr

The sulfuration of the tricyclic organophosphorous dimer 2 leads easily to the dithiotricyclic derivative 3, which has been characterized by 31P, 1H, and 13C NMR, elemental analysis, and mass spectroscopy. Its crystal and molecular structure has been established by X-ray diffraction and compared to that of 2, which was previously determined. The comparative analysis of X-ray diffraction and NMR parameters gives accurate information about the molecular structure of both compounds. A numerical value of the anistropy cone of the P=S double bond is proposed. Keywords: phosphecine, NMR, X-ray, tricycle.

Protodeborylation of Triorganoboranes

2008 ◽  
Vol 63 (3) ◽  
pp. 275-279 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Ezzat Khan ◽  
Rhett Kempe
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Gas Phase ◽  
Appreciable Amount ◽  
Reaction Conditions ◽  
X Ray ◽  
Nmr Parameters ◽  
C Nmr

Protodeborylation of triorganoboranes, usually carried out under mild reaction conditions using an excess of acetic acid, affords 1,5-dialkyl-3,7-dimethyl-4,8,9-trioxa-2,6-dioxonia-1,5-diboratabicyclo [3.3.1]nona-2,6-dienes OB(R)OC(Me)OB(R)OC(Me)O [1 (R = Et), 2 (R = cyclooctyl)]. Acetoxy(dialkyl) boranes and di(acetoxy)alkylboranes were not formed in an appreciable amount. Compounds 1 and 2 were characterized by NMR spectroscopy (1H, 11B, 13C NMR) in solution, the molecular structure of 2 was determined by X-ray analysis. The gas-phase geometry of 1 was optimized by calculations [B3LYP/6-311+G(d, p) level of theory], and its NMR parameters were also calculated at the same level of theory.

Lanthanide Complexes with Carbacylamidophosphates: The First Registration of Chelate Coordination of the Neutral Ligand Form in the Structure of Di-(N,Nf-tetramethyl-NM -benzoylphosphoryl- triamide)cerium(III) Nitrate

2000 ◽  
Vol 55 (7) ◽  
pp. 576-582 ◽  
Author(s):  
Katerina E. Gubina ◽  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Helmut Fischer ◽  
Rüdiger Stumpf ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Coordination Compounds ◽  
Metal Ion ◽  
Lanthanide Complexes ◽  
Carbonyl Oxygen ◽  
Neutral Ligand ◽  
Crystal Data ◽  
X Ray

Abstract The coordination compounds of the general formula Ln(HL)2(NO3)3, (where Ln = La - Eu (without Pm), HL = C6H5C(O)NHP(O)[N(CH3)2]2, N,Nʹ-tetramethyl-Nʺ-benzovlphosphoryl-triamide) have been synthesized and characterized by means of IR, UV-VIS, 1H, 31P NMR spectroscopy, and X-ray analysis. The complexes are isostructural according to X-ray powder diffraction studies. The crystal structure of the cerium(lll) complex has been determined. Crystal data: monoclinic, P21/c, with a = 10.503(9), b = 15.62(2), c = 21.91(2) Å, β = 99.56(8)°, Z = 4, V = 3546(6) Å3, R1= 0.0550, wR2 = 0.1383 for 6970 unique reflections used. The complex has a molecular structure. Neutral phosphoryltriamide ligands are coordinated to the metal ion in a bidentate manner via phosphoryl and carbonyl oxygen atoms with formation of six membered chelate rings. The coordination polyhedron of the Ce atom is a sphenocorona; C.N. = 10 (4 O[HL] + 6 O [NO3-]).

Komplexbildung und Metallextraktion mit heterocyclischen β-Dicarbonylverbindungen im Vergleich. Struktur von 3-Phenyl-4-benzoyl-isoxazol-5-on / Complex Formation and Metal Extraction with Heterocyclic β-Dicarbonyl Compounds as Comparison. Structure of 3-Phenyl-4-benzoyl-5-isoxazolone

1995 ◽  
Vol 50 (1) ◽  
pp. 37-42 ◽  
Author(s):  
Erhard Uhlemann ◽  
Alwin Friedrich ◽  
Gerald Hinsche ◽  
Wulfhard Mickler ◽  
Uwe Schilde
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Complex Formation ◽  
Stability Constants ◽  
Metal Extraction ◽  
Crystal Data ◽  
Dicarbonyl Compounds ◽  
Space Group ◽  
X Ray ◽  
Copper Compounds

Acid constants and stability constants of nickel and zinc chelates with 2-thenoyltrifluoroacetone, dibenzoylmethane, 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone and 3-phenyl-4-benzoyl-5-isoxazolone were compared. The extraction of copper was studied. Thermoanalytic measurements were made using the ligands and their copper compounds in the solid state. The molecular structure of 3-phenyl-4-benzoyl-5-isoxazolone was determined by X-ray analysis. Crystal data: a = 874,7(2), b = 1959,2(7), c = 897,38(7) pm; β = 101,030(7)°; space group P 121/c 1; Z = 4; R = 0,043; 1920 observed, unique reflexions.

Darstellung und Struktur von Dimesitylzinnoxid / Synthesis and Structure of Dimesityltinoxide

1982 ◽  
Vol 37 (10) ◽  
pp. 1316-1321 ◽  
Author(s):  
U. Weber ◽  
N. Pauls ◽  
W. Winter ◽  
H. B. Stegmann
Keyword(s):  
Mass Spectroscopy ◽  
Aqueous Ammonia ◽  
Asymmetric Unit ◽  
Space Group ◽  
X Ray ◽  
R Factor ◽  
Twist Conformation ◽  
Oxygen Heterocycles ◽  
C Nmr

Abstract Trimesityltin bromide reacts with concentrated aqueous ammonia to give trimesityltin hydroxide. This compound eliminates mesitylen and yields dimesityltin oxide. The product was investigated bv 13C NMR, mass spectroscopy and X-ray diffractions. Di-mesityltinoxide crystallizes in the space group P21/w with a = 25.38(1) Å, b = 12.525(5) Å, c= 32.91(1) Å, β= 91.37(3)° and two molecules in the asymmetric unit (Z=8). The R-factor is 0.049 for 4688 symmetry-independent reflections. The trimeric molecules have six-membered tin-oxygen heterocycles in a twist conformation.

Synthesis and X-ray structures of amidinate, oxoamidate, and thioamidate complexes of boron

2000 ◽  
Vol 78 (1) ◽  
pp. 10-15 ◽  
Author(s):  
Pierre Blais ◽  
Tristram Chivers ◽  
Andrew Downard ◽  
Masood Parvez
Keyword(s):  
Key Words ◽  
Mass Spectra ◽  
Molar Ratio ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Bonding Mode ◽  
C Nmr

The reactions of PhBCl2 with Li[CE(NtBu)(nBu)] or Li[CS(NtBu)(NHtBu)] (1:1 molar ratio) in toluene at 23°C produced the heterocycles Ph(Cl)B(μ-NtBu)(μ-E)C(nBu) (1a, E = NtBu; 1b, E = O; 1c, E = S) or Ph(Cl)B(μ-NtBu)(μ-S)C(NHtBu) (2), which were characterized by 1H, 11B and 13C NMR and by mass spectra. X-ray structural determinations revealed that 1a, 1c and 2 contain four-membered rings. In 2 the thioamidate ligand adopts an N,S bonding mode. Crystal data: 1a, monoclinic, space group P21, a = 8.816(3), b = 11.311(2), c = 10.168(3) Å, β = 98.86(3)°, V = 1001.7(5) Å3, Z = 2, R = 0.042, and Rw = 0.020; 1c, monoclinic, space group P21/n, a = 7.617(2), b = 11.200(1), c = 19.568(2), β = 90.74(2)°, V = 1669.1(5) Å3, Z = 4, R = 0.046, and Rw = 0.059; 2, monoclinic, space group P21/a, a = 11.357(2), b = 12.289(2), c = 12.620(3) Å, β = 95.43(2)°, V = 1753.4(5) Å3, Z = 4, R = 0.043, and Rw = 0.027. Key words: boron, amidinate, oxoamidate, thioamidate, X-ray structures.

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