The crystal structure of bis(triphenyltin)telluride and the interpretation of the 119Sn Mössbauer and nuclear magnetic resonance data of the bis(triphenyltin) and bis(trimethyltin) chalcogenides

1983 ◽  
Vol 61 (11) ◽  
pp. 2611-2615 ◽  
Author(s):  
F. W. B. Einstein ◽  
C. H. W. Jones ◽  
T. Jones ◽  
R. D. Sharma
Keyword(s):  
Crystal Structure ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Solution Nmr ◽  
Fold Axis ◽  
X Ray ◽  
X Ray Crystallography ◽  
Magnetic Resonance Data ◽  
Resonance Data

The structure of (Ph3Sn)2Te has been determined by X-ray crystallography. The compound crystallizes in the space group C2/c with a = 18.578(3) Å, b = 7.731(1) Å, c = 25.272(4) Å, β = 117.17(1)°, ρc = 1.702 g cm−3, ρo(CHCl3/CH2I2) = 1.69 g cm−3, and Z = 4. Intensities were measured for 2853 independent reflections (2θ ≤ 50°) of which 2044 were observed (I ≤ 2.3σ(I)) and used in subsequent refinement (final R values were R = 0.034 and Rw = 0.045). The (Ph3Sn)2Te molecule exhibits a "bent" structure in which Sn—Te—Sn = 103.68(2)° and Te—Sn = 2.7266(6) Å and in which the Te atom lies on a crystallographic two-fold axis. Comparison of the present structure with corresponding selenide and sulphide analogues indicates that in all three cases the environment about tin corresponds to that of sp3 hybridisation. The 119Sn Mössbauer quadrupole splittings of (Ph3Sn)3E and (Me3Sn)2E, where E = S, Se, or Te, show a correlation with the 119Sn solution nmr chemical shifts and this correlation is discussed.

The crystal structure of ethyl-Z-3-amino-2-benzoyl-2-butenoate and measurement of the barrier to E,Z-isomerization

1980 ◽  
Vol 58 (17) ◽  
pp. 1821-1828 ◽  
Author(s):  
Gary D. Fallon ◽  
Bryan M. Gatehouse ◽  
Allan Pring ◽  
Ian D. Rae ◽  
Josephine A. Weigold
Keyword(s):  
Crystal Structure ◽  
Nuclear Magnetic Resonance ◽  
Hydrogen Bond ◽  
Free Energy ◽  
Magnetic Resonance ◽  
Energy Of Activation ◽  
X Ray ◽  
X Ray Crystallography ◽  
Free Energy Of Activation ◽  
Nuclear Magnetic

Ethyl-3-amino-2-benzoyl-2-butenoate crystallizes from pentane as either the E (mp 82–84 °C) or the Z-isomer (mp 95.5–96.5 °C). The E isomer is less stable, and changes spontaneously into the Z, which bas been identified by X-ray crystallography. The structure is characterised by an N–H/ester CO hydrogen bond and a very long C2—C3 bond (1.39 Å). Nuclear magnetic resonance methods have been used to measure the rate of [Formula: see text] isomerization at several temperatures, leading to the estimate that the free energy of activation at 268 K is 56 ± 8 kJ.

scholarly journals Novel diaminopropyl substituted organotin compounds

2018 ◽  
Vol 96 (4) ◽  
pp. 411-418
Author(s):  
Johann Pichler ◽  
Philipp Müller ◽  
Ana Torvisco ◽  
Frank Uhlig
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Magnetic Resonance ◽  
Single Crystal ◽  
Carboxylic Acids ◽  
Organotin Compounds ◽  
X Ray ◽  
Magnetic Resonance Data ◽  
Resonance Data ◽  
Packing Effects

A novel synthetic pathway involving the desilylation of a tin trimethylsilyl species (Ph2Sn(SiMe3)2) towards nonprotected di(3-aminopropyl)tin dichloride ((H2N(CH2)3)2SnCl2) is described. Di(3-aminopropyl)tin dichloride is then converted to the respective dicarboxylates species (H2N(CH2)3)2Sn(OCOR)2 containing carboxylic acids of different lengths (R = –CH3, –(CH2)10CH3). Depending on the nature of R, discrete packing effects are observed in the solid state of di(3-aminopropyl)tin dicarboxylate derivatives. All the synthesized substances were characterized by 1H, 13C, and 119Sn nuclear magnetic resonance data and also single crystal X-ray analysis. These compounds are a promising class of substances for biological, pharmaceutical, and technical applications.

Cycloaddition reactions of dichlorodithionitronium hexafluoroarsenate(V) with alkynes and alkenes; the preparation and X-ray crystal structure of 1,3-dichloro-1,3,2-dithiazolidinium hexafluoroarsenate(V)

1990 ◽  
Vol 68 (6) ◽  
pp. 852-862 ◽  
Author(s):  
Simon Parsons ◽  
Jack Passmore ◽  
Melbourne J. Schriver ◽  
Peter S. White
Keyword(s):  
Crystal Structure ◽  
Cycloaddition Reactions ◽  
State Structure ◽  
Preparative Scale ◽  
X Ray ◽  
X Ray Crystallography ◽  
Magnetic Resonance Data ◽  
Resonance Data ◽  
Liquid Sulphur ◽  
Average Bond

The dichlorodithionitronium cation, ClSNSCl+, undergoes symmetry-allowed, concerted, cycloaddition reactions with alkynes and alkenes in liquid sulphur dioxide. With ethyne and propyne it gives corresponding 1,3,2-dithiazolium salts in quantitative yield. Cycloaddition with alkenes yields (hitherto unknown) 1,3-dichloro-1,3,2-dithiazolidinium cations. The reactions are sensitive to substituents, and only the cycloaddition with ethene occurs quantitatively on a preparative scale. Cycloadditions with propyne and E- and Z-2-butene have been observed in solution. The preparation, characterization, and X-ray crystal structure of the product of the reaction of CISNSCl+ with ethene, 1,3-dichloro-1,3,2-dithiazolidinium hexafluoroarsenate(V), are reported. Crystals of 1,3-dichloro-1,3,2-dithiazolidinium hexafluoroarsenate(V) are monoclinic, of space group P21/c, a = 6.3161(6) Å, b = 17.1724(23) Å, c = 19.1558(18) Å, and β = 98.143(8)°; Z = 4 and R = 0.061. The 1,3-dichloro-1,3,2-dithiazolidinium cation consists of a five-membered [Formula: see text]ring, axially substituted at the sulphurs by chlorine (average bond lengths: S—N 1.603(8) Å, S—Cl 2.025(4) Å, S—C 1.822(10) Å, and C—C 1.504(13) Å). Two crystallographically unique cations are linked by weak S..N contacts into pseudo-dimers. These data are used, together with structural comparisons with related SNS-containing cations and the sulphoxides and the 14N chemical shift, to show that the bonding in the SNS region of the cation is best represented by the valence canonicals [Formula: see text] and [Formula: see text], such that the sulphur and nitrogen atoms respectively carry absolute positive and negative charges. This picture is also supported by the fluoride contacts to the cation from the AsF6−anion, which are exclusively to sulphur. Nuclear magnetic resonance data were consistent with the retention of the solid state structure of [Formula: see text] in solution. Keywords: sulphur-nitrogen chloride, sulphur-nitrogen cations, 1,3-dichloro-1,3,2-dithiazolidinium, cycloaddition reactions, X-ray crystallography.

Complex formation between cuprous iodide and phenyl phosphine: a nuclear magnetic resonance and X-ray crystallographic study

1985 ◽  
Vol 63 (4) ◽  
pp. 928-934 ◽  
Author(s):  
Raymond J. Batchelor ◽  
Thomas Birchall ◽  
Romolo Faggiani
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Room Temperature ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Magnetic Resonance Data ◽  
Crystallographic Study ◽  
Rapid Exchange ◽  
Resonance Data ◽  
Nuclear Magnetic

The X-ray crystal structure of di-μ-iodobis[bis(phenylphosphine)copper(I)] has been determined: R1 = 0.0460. The crystals were monoclinic, space group Cc, a = 10.625(2) Å, b = 25.115(8) Å, c = 11.361(2) Å, β = 105.929(15)°, fw = 821.28, and Z = 4. The molecular structure consists of two CuI(C6H5PH2)2 units bridged via the iodines so that each copper achieves tetrahedral coordination. Nuclear magnetic resonance data provides evidence that the phenylphosphines remain coordinated in solution but undergo rapid exchange at room temperature.

Carbon-13 nuclear magnetic resonance study of phenyl derivatives of B, Si, Sn, P, and Te fluorides

1993 ◽  
Vol 71 (4) ◽  
pp. 526-528 ◽  
Author(s):  
Chengrui Wang ◽  
Yuxiang Mo ◽  
Meehae Jang ◽  
Alexander F. Janzen
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Central Element ◽  
Nuclear Magnetic Resonance Study ◽  
Magnetic Resonance Data ◽  
Resonance Data ◽  
Experimental Values ◽  
Derivatives Of ◽  
Nuclear Magnetic

13C nuclear magnetic resonance data for a variety of phenyl derivatives of boron, silicon, tin, phosphorus, and tellurium fluorides are presented. Neutral, anionic, and cationic complexes are included and the coordination number of the central element varies from 3 to 6. Empirical equations of the 13C chemical shifts of the benzene ring have been deduced by taking into consideration the charge density, dipole moment, and binding energy, and the 13C chemical shifts calculated from these equations deviate from the experimental values by up to 1.4 ppm, but mostly less than 0.7 ppm.

Synthesis, X-ray and complete assignments of 1H and 13C nuclear magnetic resonance data for novel dichloro-1,4-dihydro-1,4-epoxynaphtalene derivatives

2021 ◽  
Vol 1224 ◽  
pp. 129287
Author(s):  
René Alberto Enríquez-Figueroa ◽  
Armando Pineda-Contreras ◽  
Octavio Barragán-Mares ◽  
Kayim Pineda-Urbina ◽  
Nancy Evelyn Magaña-Vergara ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Nuclear Magnetic Resonance Data ◽  
X Ray ◽  
Magnetic Resonance Data ◽  
13C Nuclear Magnetic Resonance ◽  
Resonance Data ◽  
Nuclear Magnetic
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