scholarly journals 4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline

Molbank ◽  
10.3390/m1163 ◽  
2020 ◽  
Vol 2020 (4) ◽  
pp. M1163
Author(s):  
Sara Hajib ◽  
Salaheddine Boukhssas ◽  
Younas Aouine ◽  
Anouar Alami ◽  
Hassane Faraj ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Conventional Method ◽  
Structure Determination ◽  
Title Compound ◽  
Molecular Packing ◽  
X Ray ◽  
High Yields ◽  
First Time

The title compound, 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline 2, a well-known substance, was resynthesized in high yields through a conventional method. The structure of compound 2 was characterized for the first time by a single-crystal X-ray structure determination. The compound was further established through NMR spectroscopy (1D and 2D). In the molecular packing, two molecules of 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline interact through H-Bonds to define “dimers” in which phenyl groups interact especially using π…π contact.

Regio- And Stereoselective Addition Of Imides To Ethyl 3-Phenyl-2- Propynoate In The Presence Of Triphenylphosphine. Single Crystal X-Ray Structure Of Ethyl (Z)-2-(1,3-Dioxo-1,3,3A,4,7,7A-Hexahydro-2H-Isoindol- 2-Yl)-3-Phenyl-2-Propenoate

2007 ◽  
Vol 62 (6) ◽  
pp. 829-834 ◽  
Author(s):  
Amir Tofangchi Mahyaria ◽  
Nahid Shajari ◽  
Ali Reza Kazemizadeh ◽  
Katarzyna Ślepokura ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Structural Analysis ◽  
Single Crystal ◽  
Structure Determination ◽  
One Pot ◽  
X Ray ◽  
One Pot Synthesis ◽  
Stereoselective Addition ◽  
High Yields ◽  
C Nmr

A one-pot synthesis of sterically congested N-vinyl imides in fairly high yields by the reaction of ethyl 3-phenyl-2-propynoate, imides and triphenylphosphine is reported. The structures of these compounds were confirmed by IR, 1H, and 13C NMR spectroscopy, and by a single crystal X-ray structure determination. The structural analysis of the products indicated that the reaction is regioand stereoselective

scholarly journals 2-(3,5-Dimethyl-1H-pyrazol-1-yl)thiazolo[4,5-b]pyridine

Molbank ◽  
10.3390/m1077 ◽  
2019 ◽  
Vol 2019 (3) ◽  
pp. M1077
Author(s):  
Lan ◽  
Zheng ◽  
Wang
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
1H Nmr ◽  
Structure Determination ◽  
1H Nmr Spectroscopy ◽  
Pyrazole Ring ◽  
Hydrogen Atoms ◽  
X Ray ◽  
X Ray Crystallography

The compound 2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazolo[4,5-b]pyridine (1) was synthesized with a yield of 71% by the reaction of 1-(thiazolo[4,5-b]pyridine-2-yl)hydrazine and acetylacetone. The structure was characterized by a single-crystal X-ray structure determination as well as 1H and 13C{1H} NMR spectroscopy. X-ray crystallography on 1 confirms the molecule consists of a pyridine–thiazole moiety and the pyrazole ring, and all non-hydrogen atoms are planar.

O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate: structural evidence of the decomposition product and its oxalate salt

2019 ◽  
Vol 234 (9) ◽  
pp. 613-621
Author(s):  
Marc André Althoff ◽  
Jörn Frederik Martens ◽  
Marco Reichel ◽  
Manfred Metzulat ◽  
Thomas Matthias Klapötke ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Analytical Methods ◽  
Decomposition Product ◽  
X Ray Diffraction ◽  
X Ray ◽  
Rearrangement Process ◽  
Study Support ◽  
First Time

Abstract The molecular and single crystal structure of O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate oxalate, as determined by single crystal X-ray diffraction studies, is described for the first time; although this compound is well-known by industry and research from the mid-20th century. The known decomposition product of pure O,O-diethyl O-[2-(dimethylamino)ethyl] phosphorothioate could also be structurally characterized. Additionally, the compounds are characterized by recent analytical methods e.g. NMR. The findings of our study support the thesis that the isolated decomposition product must be a by-product of the thiono-thiolo rearrangement process of the title compound.

scholarly journals Synthesis and Single Crystal X-Ray Structure of Bis[4-oxo-3- (2-ethoxycarbonylphenyl)-3,4-dihydroquinazolin-2-yl]disulfide

2009 ◽  
Vol 64 (9) ◽  
pp. 1065-1069 ◽  
Author(s):  
Mehdi Rimaz ◽  
Jabbar Khalafy ◽  
Khadijeh Tavana ◽  
Katarzyna Ślepokura ◽  
Tadeusz Lis ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Structure Determination ◽  
Room Temperature ◽  
Sodium Ethoxide ◽  
Reaction Conditions ◽  
X Ray ◽  
Ethyl Nitroacetate ◽  
C Nmr

Diethyl 2,2´-thiocarbonyl-bis(azanediyl)dibenzoate was synthesized from the reaction of ethyl anthranilate with thiophosgene. Its treatment with sodium ethoxide in ethanol at room temperature gave ethyl 2-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl) benzoate, whereas in the presence of ethyl nitroacetate and under the same reaction conditions, the corresponding bis(quinazolin)disulfide was formed. Its structure was confirmed by IR, 1H and 13C NMR spectroscopy elemental analysis and single crystal X-ray structure determination.

Crystal structure of (Z)-Cembr-4-ene-15,19,20-triol

1977 ◽  
Vol 30 (12) ◽  
pp. 2723 ◽  
Author(s):  
EN Maslen ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Relative Configuration ◽  
Macrocyclic Ring ◽  
X Ray

The crystal structure of the title compound, CZOH3803 [compound (1) in ref.'], has been determined by single-crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.045 for 954 'observed' reflections. Crystals are monoclinic, P2', a 9.281(2), b 17.798(6), c 6.417(1) A, B 93.81(3)", Z 2. The structure determination establishes the relative configuration of the chiral centres within the 14-membered macrocyclic ring and shows the double bond to have the unusual (Z) configuration.

Structural Characterization of the Reaction Products of Vanadium(II) and Endrin as 2 Isomers of 1,8,exo-9,10,11-Pentachloropentacyclo[6.2.1.13,6.02,7.04,10]dodecan-5-one

1989 ◽  
Vol 42 (6) ◽  
pp. 959
Author(s):  
DE Clegg ◽  
PC Healy ◽  
GJ Patch ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Structure Determination ◽  
Title Compound ◽  
Reaction Products ◽  
X Ray

Two dechlorinated products (B) and (D), formed in the reaction between endrin (C12H8Cl6O) and vanadium(II) for the purpose of confirmation of identity, are shown by single-crystal X-ray structure determination to be isomers of the title compound, C12H9Cl5O. Crystals of both are monoclinic, P21/c. For isomer (B), a 7.432(8), b 12.76(1), c 14.55(2) � , β 108.32(9)�, Z=4; R was 0.038 for 2594 observed reflections. For isomer (D), a 9.037(4), b 12.004(4), c 14.436(6) � , β 124.91(2)°, Z= 4; R was 0.041 for 1826 reflections. The geometries of the two isomers are compared.

Lewis-Base Adducts of Main Group 1 Metal Compounds. V. Diaquabis(quinoline)lithium(I) Bromide Bis(quinoline)

1988 ◽  
Vol 41 (3) ◽  
pp. 409 ◽  
Author(s):  
CL Raston ◽  
BW Skelton ◽  
CR Whitaker ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
Lithium Bromide ◽  
Main Group ◽  
Lewis Base ◽  
Metal Compounds ◽  
X Ray ◽  
Group 1

The title compound, an artefact of recrystallization of lithium bromide from improperly dried quinoline, has been characterized by a single- crystal X-ray structure determination. Crystals are triclinic, Pī , a 16.608(9), b 12.27(1), c 7.962(8)Ǻ, α 101.98(8),β 91.79(7),γ 92.27(6), Z 2; R was 0.058 for 2404 'observed' reflections. The cation is the first to be structurally defined for a [Li(OH2)2 (N-base)2]+ system; Li-O are 1.92(2), 1.93(2)Ǻ and Li-N 2.12(2), 2.14(2)Ǻ.

Crystal Structure of N,N,N′,N′-Tetrakis-(trimethylsilyl)ethane-1,2-diamine

1985 ◽  
Vol 38 (11) ◽  
pp. 1729 ◽  
Author(s):  
LM Engelhardt ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Structure Determination ◽  
Title Compound ◽  
Full Matrix ◽  
X Ray ◽  
Methylene Groups

The title compound, [{(Me3Si)2NCH2}2], has been structurally characterized by a single-crystal X-ray structure determination at 130 K, being refined by full-matrix least-squares to a residual of 0.057 for 1244 'observed' reflections. Crystals are monoclinic, C2/c, a 21.00(2), b 9.089(8), c 11.744(9) Ǻ, β 92.31(7)°, Z 4. Molecules lie on inversion centres, but with some disorder of the methylene groups. Si -N are 1.735 Ǻ, and N-CH2 1.53(1) for the major fragment (70%). The nitrogen in the major fragment is approximately trigonal planar; Si -N- Si 124.6(3)°, Si -N-C 117.5(4), 115.5(4)°.

Approaches to the total synthesis of triterpenes. VIII. The ABC + D/E approach. Synthesis and X-ray structure determination of 1β,4a β-dimethyl-7-methoxy-1α- (7′,7′-ethyleneketal-6′,6′-dimethyl-3′-ketooctyl)-3,4,4a,9,10,10aα-hexahydro- 2(l-H)phenanthrone

1982 ◽  
Vol 60 (4) ◽  
pp. 509-513 ◽  
Author(s):  
John W. ApSimon ◽  
Rick P. Sequin ◽  
Carol P. Huber
Keyword(s):  
Total Synthesis ◽  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
Trimethylsilyl Ether ◽  
Synthetic Route ◽  
X Ray ◽  
Pentacyclic Triterpenes ◽  
Ongoing Work

The title compound was made following a projected synthetic route to pentacyclic triterpenes. The key step in the route is the alkylative trapping of the enolate derived from the enol trimethylsilyl ether 8. The stereochemical consequence of this reaction is confirmed by a single crystal X-ray structure determination on 4, which although of no further utility in the projected synthesis, nevertheless served as a useful template for this determination. In this way, ongoing work in a parallel series of compounds rests on a firm stereochemical footing.

Crystal structure of Tris(ethane-1,2-diamine)nickel(II) diperchlorate monohydrate

1978 ◽  
Vol 31 (2) ◽  
pp. 415 ◽  
Author(s):  
CL Raston ◽  
AH White ◽  
AC Willis
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Diffraction Data ◽  
Structure Determination ◽  
Title Compound ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray ◽  
Very High

The crystal structure of the title compound, [Ni(en)3] (ClO4)2,H2O, has been determined from single-crystal X-ray diffraction data at 295(1) K and refined by least squares to a residual of 0.093 for 1400 'observed' reflections. Crystals are orthorhombic, P bca, a 17.043(7), b 15.922(6), c 13.496(5) Ǻ, Z 8. The precision of the structure determination is adversely affected by very high perchlorate thermal motion. <Ni-N> is 2.13 Ǻ.

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