IR SPECTROSCOPY AND SINGLE CRYSTAL X-RAY DIFFRACTION STUDY OF 1,2-BIS(2-AMINOPHENOXY)-ETHANE, 1,5-BIS(2-AMINOPHENOXY)-3-OXAPENTANE, AND 1,8-BIS(2-AMINOPHENOXY)-3,6-DIOXAOCTANE

2017 ◽  
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray

Structural Study of an Unusual Diels-Alder Adduct

1992 ◽  
Vol 45 (12) ◽  
pp. 2089 ◽  
Author(s):  
EL Ghisalberti ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
Structural Study ◽  
Spectroscopic Studies ◽  
Diels Alder ◽  
X Ray Diffraction ◽  
X Ray ◽  
Naturally Occurring ◽  
Chemical Evidence ◽  
Alder Adduct

The structure of the compound obtained on heating the naturally occurring clerodane furanoditerpene (1) had been formulated as (2) on the basis of spectroscopic studies. A single-crystal X-ray diffraction study on the dihydro derivative of (2) has confirmed this and provides support for the stereochemistry previously assigned to (1) on the basis of chemical evidence.

Single crystal X-ray diffraction study of the HgBa2CuO4+δ superconducting compound

1996 ◽  
Vol 271 (3-4) ◽  
pp. 189-196 ◽  
Author(s):  
P Bordet ◽  
F Duc ◽  
S LeFloch ◽  
J.J Capponi ◽  
E Alexandre ◽  
...  
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Superconducting Compound

Monoclinic FeO at high pressures

2008 ◽  
Vol 223 (7/2008) ◽  
Author(s):  
Innokenty Kantor ◽  
Alexander Kurnosov ◽  
Catherine McCammon ◽  
Leonid Dubrovinsky
Keyword(s):  
High Pressure ◽  
Iron Oxide ◽  
Single Crystal ◽  
Diffraction Study ◽  
High Pressures ◽  
X Ray Diffraction ◽  
X Ray

AbstractA high-pressure quasi-single crystal X-ray diffraction study of a synthetic iron oxide Fe

New solvates and a salt of the anti-HIV compound etravirine

2021 ◽  
Vol 77 (11) ◽  
Author(s):  
Marieta Muresan-Pop ◽  
Sergiu Macavei ◽  
Alexandru Turza ◽  
Gheorghe Borodi
Keyword(s):  
Thermal Analysis ◽  
Ir Spectroscopy ◽  
Force Field ◽  
Single Crystal ◽  
Total Energy ◽  
Hirshfeld Surface ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Energies ◽  
Anti Hiv

Four new solvates of the anti-HIV compound etravirine [systematic name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile, C20H15BrN6O] with dimethyl sulfoxide (C2H6OS, two distinct monosolvates), 1,4-dioxane (C4H8O2, the 0.75-solvate) and N,N-dimethylacetamide (C4H9NO, the monosolvate), which exhibit conversion to the same anhydrous etravirine phase upon desolvation, and a stable etravirinium oxalate salt {6-amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate, C20H16BrN6O+·0.5C2O4 2−} were obtained. The crystal structures were solved by single-crystal X-ray diffraction and analyzed by powder X-ray diffraction, and the intermolecular interactions were explored by Hirshfeld surface analysis. Lattice energies were evaluated using the atom–atom force field Coulomb–London–Pauli (AA CLP) approximation, which distributes the total energy as four separate contributions: Coulombic, polarization, dispersion and repulsion. The formation of the solvates and the oxalate salt was further characterized by thermal analysis and IR spectroscopy.

An X-ray diffraction study of the incommensurate modulations in single crystal Bi2Sr2CaCu2Oy

1990 ◽  
Vol 3 (6) ◽  
pp. 297-301 ◽  
Author(s):  
C Patterson ◽  
P D Hatton ◽  
R J Nelmes ◽  
X Chu ◽  
Y F Yan ◽  
...  
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
X Ray
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