NMR Crystallography: Toward Chemical Shift-Driven Crystal Structure Determination of the β-Lactam Antibiotic Amoxicillin Trihydrate

2013 ◽  
Vol 13 (6) ◽  
pp. 2390-2395 ◽  
Author(s):  
Sérgio M. Santos ◽  
João Rocha ◽  
Luís Mafra
Keyword(s):  
Crystal Structure ◽  
Chemical Shift ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Amoxicillin Trihydrate ◽  
Lactam Antibiotic ◽  
Nmr Crystallography

scholarly journals Crystal structure determination of an elusive methanol solvate – hydrate of catechin using crystal structure prediction and NMR crystallography

CrystEngComm ◽  
2020 ◽  
Vol 22 (30) ◽  
pp. 4969-4981 ◽  
Author(s):  
Marta K. Dudek ◽  
Piotr Paluch ◽  
Justyna Śniechowska ◽  
Karol P. Nartowski ◽  
Graeme M. Day ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Structure Prediction ◽  
Crystal Structure Determination ◽  
Crystal Structure Prediction ◽  
Molecular Conformations ◽  
Nmr Crystallography

A useful short-cut was developed to limit the number of molecular conformations that need to be regarded in crystal structure prediction calculations, which led to the crystal structure determination of new methanol solvate – hydrate of catechin.

Crystal structure determination of Hägg carbide,χ-Fe5C2by first-principles calculations and Rietveld refinement

2012 ◽  
Vol 227 (4) ◽  
pp. 207-220 ◽  
Author(s):  
Andreas Leineweber ◽  
Shunli Shang ◽  
Zi-Kui Liu ◽  
Marc Widenmeyer ◽  
Rainer Niewa
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Structure Determination ◽  
First Principles ◽  
Crystal Structure Determination ◽  
First Principles Calculations

ChemInform Abstract: Spectroscopic Studies and X-Ray Crystal Structure Determination of the Complex cis-(S-Ethylcysteine)platinum(II)dichloride.

1982 ◽  
Vol 13 (38) ◽  
Author(s):  
V. THEODOROU ◽  
I. PHOTAKI ◽  
N. HADJILIADIS ◽  
R. W. GELLERT ◽  
R. BAU
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Spectroscopic Studies ◽  
Crystal Structure Determination ◽  
X Ray

Vom Fluorsilan zum Siloxan — 1,3-Silylgruppenwanderung am Si3CSiO-Gerüst/ From a Fluorosilane to a Siloxane — 1,3-Migration of Silyl Groups in the Si3CSiO System

1985 ◽  
Vol 40 (8) ◽  
pp. 1023-1028 ◽  
Author(s):  
Uwe Klingebiel ◽  
Sabine Pohlmann ◽  
Lutz Skoda ◽  
Cornelia Lensch ◽  
George M. Sheldrick
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Silyl Groups ◽  
Trimethylsilyl Groups

AbstractThe nature of the products which are formed in the reaction of tris(trimethylsilyl)Methylfluorosilanes (Me3Si)3C -SiF2R with KOH depends on the bulkiness of the substituents R. The condensed siloxane is obtained for R = F . The crystal structure determination of this siloxane (Me3Si)3C -SiF2-O -SiF2-C (SiMe3)3 shows that the Si -O - Si unit is linear. A fluorosilanol as well as a siloxane could be isolated for R = Me. 1,3-Migration of one or two trimethylsilyl groups from the carbon to the oxygen takes place for R = phenyl, rm-butyl or silylamine, with formation of siloxanes which are isomeres o f the expected silanols.

Synthesis and crystal structure determination of a new misfit compound: [(EuS)1.5]1.15NbS2

1998 ◽  
Vol 1 (4) ◽  
pp. 269-276
Author(s):  
Laurent Cario ◽  
Alain Meerschaut ◽  
Catherine Deudon ◽  
Jean Rouxel
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Synthesis And Crystal Structure

scholarly journals Investigation of the La2O3–Nb2O5–WO3 ternary phase diagram: Isolation and crystal structure determination of the original La3NbWO10 material

2015 ◽  
Vol 229 ◽  
pp. 129-134 ◽  
Author(s):  
T.D. Vu ◽  
M. Barre ◽  
K. Adil ◽  
A. Jouanneaux ◽  
E. Suard ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Diagram ◽  
Structure Determination ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Crystal Structure Determination

ChemInform Abstract: Radical Cation Formation and Crystal Structure Determination of 4′-Dimethylamino-10-phenylpyrido[3,2-b]benzothiazine.

1985 ◽  
Vol 16 (22) ◽  
Author(s):  
M. V. JAVANOVIC ◽  
E. R. BIEHL ◽  
P. DE MEESTER ◽  
S. S. C. CHU
Keyword(s):  
Crystal Structure ◽  
Radical Cation ◽  
Structure Determination ◽  
Crystal Structure Determination

Crystal Structure Determination of Li2Ca2Si5O13

1995 ◽  
Vol 114 (2) ◽  
pp. 512-515 ◽  
Author(s):  
M.E. Villafuerte-Castrejón ◽  
A. Dago ◽  
U. Caldiño ◽  
R. Pomes
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Crystal Structure Determination
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