Die Bindungsverhältnisse in Phosphantelluriden. Eine empirische NMR-Studie und die Kristallstruktur von (iso-C3H7)3PTe [1] / The Nature of the Bonding in Phosphane Tellurides. An Empirical NMR Study and the Crystal Structure of (iso-C3H7)3PTe [1]

1990 ◽  
Vol 45 (7) ◽  
pp. 1010-1018 ◽  
Author(s):  
Norbert Kuhn ◽  
Gerald Henkel ◽  
Hans Schumann ◽  
Roland Fröhlich
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Bond Order ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Data ◽  
Nmr Study

31P and 125Te NMR data of trialkylphosphane tellurides are compared. The deviation of the shifts for Me3PTe and 'Bu3PTe from those of other phosphane tellurides is interpreted in terms of high s-character of the P–Te bond originating from the phosphorus (R = Me) and the tellurium (R = 'Bu) atom, respectively. The molecular structure of 'Pr3PTe has been determined by X-ray crystallography (P–Te 2.365 A). A reduction of the bond order is suggested based also on a comparison of the R3PSe and R3PTe NMR data.

Synthese und Eigenschaften einiger Silylethinylsilane; Molekülstruktur von Tetrakis(trimethylsilylethinyl)silan / Synthesis and Properties of Some Silylethynylsilane; Molecular Structure of Tetrakis(trimethylsilylethynyl)silane

1988 ◽  
Vol 43 (1) ◽  
pp. 49-52 ◽  
Author(s):  
Hubert Schmidbaur ◽  
Jan Ebenhöch
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Silicon Atom ◽  
Grignard Reagent ◽  
X Ray Diffraction ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Nmr Data

Abstract Trimethylsilylethine (1) has been prepared from C2H2, sodium and Me3SiCl in anisole. The product can be converted into a Grignard reagent Me3SiC≡CMgCl using iPrMgCl. This reagent yields the compounds Me3SiC≡CSiH3, (Me3SiC≡C)2SiH2, (Me3SiC≡C)3SiH, and (Me3SiC≡C)4Si (2-5) when treated with equivalent amounts of H3SiBr, H2SiBr2, HSiCl3, or SiCl4. respectively. The new silanes have been characterized by NMR data. The crystal structure of (Me3SiC≡C)4Si has been determined by single crystal X-ray diffraction. It shows the expected tetrahedral geometry at he central silicon atom with four linear SiC≡CSi linkages.

scholarly journals Tris(phosphan)-Nickel(0)-Ethen-Komplexe (dmpe)(PR3)Ni(C2H4). Molekülstruktur des (dmpe)(PØ3 )Ni(C2H4)/ Tris(phosphane)-nickel(0)-ethene Complexes (dmpe)(PR3)Ni(C2H4). Molecular Structure of (dmpe)(PO3)Ni(C2H4)

1984 ◽  
Vol 39 (8) ◽  
pp. 1076-1081 ◽  
Author(s):  
Klaus R. Pörschke ◽  
Richard Mynott ◽  
Carl Krüger ◽  
M. J. Romão
Keyword(s):  
Molecular Structure ◽  
Ligand Exchange ◽  
Crystal And Molecular Structure ◽  
Exchange Reactions ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Data

AbstractSynthesis and properties of tris(phosphane)(ethene)nickel(0) complexes (dmpe)(PR3)Ni(C2H4) (R = CH3(4), c-C6H11(5), and C6H5 (6)) are reported. In solution. 4-6 are thermolabile and undergo ligand exchange reactions affording tetrakis(phosphane)nickel(0 ) and bis(phosphane)- (ethene)nickel(0) complexes. 1H, 13C, and 31P NMR data of 4-6 confirm the tetrahedral geometry around nickel. For 6 , the crystal and molecular structure has been determined by X-ray crystallography.

The Crystal Structure of the Tetrameric Adduct of Antimony Trichloride and Phosphoryl Isothiocyanate, [SbCl3·OP(NCS)3]4

1994 ◽  
Vol 49 (4) ◽  
pp. 441-444 ◽  
Author(s):  
Alexander V. Sienkiewicz ◽  
Anatoliy A. Kapshuk
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Antimony Trichloride ◽  
Cage Structure ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Cubic System ◽  
Tetrameric Complex

The crystal and molecular structure of the tetrameric complex of the composition [SbCl3·OP(NCS)3]4 synthesized from SbCl3 and OP(NCS)3 in CCl4 waso determined by X-ray crystallography [143 m space group, cubic system with a = 13.927(4) Å]. The complex exhibits a tetranuclear "cage" structure with a [Sb4O4] core which consists of μ3-bridging oxygen and six coordinate antimony(III) atoms; the Sb-O distance, 3.060 Å, is exceptionally long.

Syntheses, characterization, and X-ray crystal structures of diorganotin(IV) derivatives of 2-pyridinethiolato-N-oxide

2003 ◽  
Vol 81 (10) ◽  
pp. 1070-1075 ◽  
Author(s):  
Chunlin Ma ◽  
Junhong Zhang ◽  
Rufen Zhang
Keyword(s):  
Crystal Structure ◽  
Stacking Interactions ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Data ◽  
Π Stacking ◽  
Oxide Crystal ◽  
Distorted Trigonal Bipyramid ◽  
Π Stacking Interaction ◽  
Derivatives Of

The diorganotin(IV) dichloride reacts with sodium 2-pyridinethiolato-N-oxide in a 1:1 ratio to produce [Me2SnCl(2-SpyO)] (1), [Et2SnCl(2-SpyO)] (2), [Bu2SnCl(2-SpyO)] (3), [Ph2SnCl(2-SpyO)] (4), and [(PhCH2)2SnCl(2- SpyO)] (5). The new complexes have been characterized by elemental analysis and IR and NMR (1H, 119Sn, and 13C) spectroscopy. On the basis of 119Sn NMR data the effective coordination number in solution is five. The structures 1 and 4 have been confirmed by X-ray crystallography. Crystals of 1 are triclinic with space group P[Formula: see text] and those of 4 are monoclinic, P21/n. The tin environment is a distorted trigonal bipyramid with the Cl and oxygen atoms in apical positions. Both complexes exhibit strong π–π stacking interactions. Key words: diorganotin, π–π stacking interaction, 2-pyridinethiolato-N-oxide, crystal structure.

Study on One Acrylic Ester of Cytosine

2014 ◽  
Vol 912-914 ◽  
pp. 509-512
Author(s):  
Li Li Geng ◽  
Xue Min Ren ◽  
Wei Xi Mao ◽  
Xiao Ming Song ◽  
Yong Feng Ji ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Acrylic Ester ◽  
Adjacent Molecule ◽  
Β Sheet

One acrylic ester of cytosine was synthesized by a facile method, and its molecular structure was characterized by NMR, HRMS, and X-ray crystallography. In this paper, the crystal structure of the analog is described and the available data of cytosine. The X-ray crystallography showed that the adjacent molecule of cytosine Derivatives was tied to form analogous antiparallel β-sheet arrangement.

Enantioselektive Gewinnung und Kristallstruktur des Ecstasy-Analogons N-Ethyl-3,4-methylendioxyamphetamin-HCl (MDE) und seiner beiden Hauptmetaboliten MDA und HME / Enantioselective Production and Crystal Structure of the Ecstasy Analogue N-Ethyl-3,4- methylenedioxyamphetamine-HCl (MDE) and its Major Metabolites MDA and HME

2000 ◽  
Vol 55 (12) ◽  
pp. 1124-1130 ◽  
Author(s):  
Jochen Büchler ◽  
Cacilia Maichle-Mössmer ◽  
Karl-Artur Kovar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Crystal Lattice ◽  
Crystal And Molecular Structure ◽  
Synthetic Route ◽  
X Ray ◽  
X Ray Crystallography

A synthetic route to the production of the pure enantiomers of the ecstasy-analogue N-Ethyl- 3,4-methylenedioxyamphetamine (MDE) and its major metabolites MDA and HME is presented. The crystal and molecular structure of these compounds has been determined by X-ray crystallography. The hydrogen bonding in the crystal lattice is examined and significant differences were found by comparing (R)- and (S)-MDA-HCl.

Neue Bis(phosphan)-nickel(0)-alkin-Komplexe /New Bis(phosphane)-nickel(0)-alkyne Complexes

1985 ◽  
Vol 40 (2) ◽  
pp. 199-209 ◽  
Author(s):  
Klaus R. Pörschke ◽  
Richard Mynott ◽  
Klaus Angermund ◽  
Carl Krüger
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Data ◽  
Alkyne Complexes

Abstract (Me3P)2Ni(C2H4) (5) and (dmpe) 2Ni2(C2H4)3 (6) react with various alkynes including ethyne (acetylene) and 1-alkynes to form the crystalline compounds (Me3P)2Ni(C2RR′), (dmpe)Ni(C2RR′), and (dmpe)2Ni2(C2R2)2 (R.R′ = H, Me, Ph). Structural assignments were made on the basis of 1H, 13C, and 31P NMR data. The crystal and molecular structure of (dmpe)Ni(C2Ph2) (17) has been determined by X-ray crystallography.

Synthesis and crystal structure of a homoleptic diruthenium complex containing tetra-2-pyridyl-1,4-pyrazine (tppz)

2017 ◽  
Vol 72 (10) ◽  
pp. 759-762 ◽  
Author(s):  
Marion Graf ◽  
Peter Mayer ◽  
Hans-Christian Böttcher
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Title Complex ◽  
Dinuclear Complex ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Diruthenium Complex

AbstractTreatment of hydrated ruthenium(III) chloride with tetra-2-pyridyl-1,4-pyrazine (tppz) in refluxing ethoxyethanol afforded the homoleptic dinuclear complex [(tppz)Ru(μ-tppz)Ru(tppz)]4+ (1) besides small amounts of the species [Ru(tppz)2]2+. The title complex 1 was obtained as purple crystals and characterized as its hexafluoridophosphate salt by NMR spectroscopy, mass spectrometry and microanalyses. The molecular structure of 1(PF6)4 has been established by X-ray crystallography.

The synthesis and characterization of 3,3-disubstituted pent-4-enals and their 2,2-(trimethylenedithio)pent-4-enal precursors, including the X-ray crystal structure of (R)-3-ethyl-3-phenyl-2,2-(trimethylenedithio)pent-4-enal

1985 ◽  
Vol 63 (5) ◽  
pp. 1035-1040 ◽  
Author(s):  
Charles G. Young ◽  
Brian R. James ◽  
Steven J. Rettig
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Synthesis And Characterization ◽  
Intramolecular Rearrangement ◽  
X Ray ◽  
X Ray Crystallography ◽  
New Compounds ◽  
Allylic Bromide

A variety of 3,3-disubstituted pent-4-enals (5a, R = Me, R′ = Et; 5b, R = Me, R′ = Ph; 5c, R = Et, R′ = Ph) has been prepared by the Raney nickel desulfurization of the corresponding 3,3-disubstituted 2,2-(trimethylenedithio)pent-4-enal precursors 4a–4c. The precursor compounds were prepared by the alkylation of 2-formyl-1,3-dithiane with the appropriate 3,3-disubstituted allylic bromide. The new compounds have been characterized by elemental analysis, infrared and nmr spectroscopy, and mass spectrometry. The crystal and molecular structure of (R)-4c has also been determined by X-ray crystallography. At temperatures of ca. 130 °C, compounds 4a–4c undergo intramolecular rearrangement to form the tri-substituted alkenes 6a–6c, which have also been characterized by the present study.

The X-ray crystal structure of rapamycin, C51H79NO13

1978 ◽  
Vol 56 (18) ◽  
pp. 2491-2492 ◽  
Author(s):  
D. C. Neil Swindells ◽  
Peter S. White ◽  
John A. Findlay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Macrolide Antibiotic ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Antifungal Antibiotic ◽  
X Ray Crystallography ◽  
New Type

The antifungal antibiotic Rapamycin crystallises in the orthorhombic space group P212121 with a = 34.85(2), b = 13.08(1), c = 12.25(1) Å. The molecular structure has been determined by X-ray crystallography to be a completely new type of macrolide antibiotic of formula C51H79NO13.

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