A new method of site occupancy analysis in substitutional mixed crystals by means of X-ray crystal structure analysis (I). Pseudo lattice and superposition structure of a substitutional mixed crystal

1983 ◽  
Vol 18 (8) ◽  
pp. 985-995 ◽  
Author(s):  
A. Zedler
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Mixed Crystal ◽  
Site Occupancy ◽  
Crystal Structure Analysis ◽  
Mixed Crystals ◽  
New Method ◽  
X Ray

Modified photoreactivity due to mixed crystal formation. I. Three mixed crystals between isostructural cobaloxime complexes

2002 ◽  
Vol 58 (2) ◽  
pp. 227-232 ◽  
Author(s):  
Champika Vithana ◽  
Hidehiro Uekusa ◽  
Akiko Sekine ◽  
Yuji Ohashi
Keyword(s):  
Crystal Structure ◽  
Mixed Crystal ◽  
Crystal Form ◽  
Crystal Structure Analysis ◽  
Mixed Crystals ◽  
Crystal Formation ◽  
Xenon Lamp ◽  
X Ray ◽  
Mixed Crystal Formation ◽  
Cyanoethyl Group

Three crystals of 2-cyanoethyl cobaloxime complexes with 3-chloropyridine, 3-bromopyridine and 3-methylpyridine as axial base ligands are isostructural to one another. Three mixed crystals were formed between the pairs: (3-bromopyridine)(2-cyanoethyl)cobaloxime–(2-cyanoethyl)(3-methylpyridine)cobaloxime(0.45/0.55);(3-chloropyridine)(2-cyanoethyl)cobaloxime–(2-cyanoethyl)(3bromopyridine)cobaloxime (0.61/0.39); (3-chloropyridine)(2-cyanoethyl)cobaloxime–(2-cyanoethyl)(3-methylpyridine)cobaloxime (0.44/0.56). The X-ray crystal structure analysis revealed that the mixed compounds are also isostructural to the component crystals. It was found from the change in IR spectra that the 2-cyanoethyl groups in the three mixed crystals isomerized to 1-cyanoethyl groups on exposure to a xenon lamp, as observed for the 2-cyanoethyl groups in the component crystals. Rate constants for the three mixed and three component crystals, measured under the same conditions, are approximately the same, as the reaction cavities for the 2-cyanoethyl groups in the six crystals have almost the same size. For the mixed crystal between 3-chloropyridine and 3-methylpyridine complexes, the isomerization proceeded with retention of the single-crystal form. The conformation and configuration of the 1-cyanoethyl group that was produced were well explained by the shape of the reaction cavity before irradiation.

scholarly journals Preparative-scale HPLC Resolution of Metallacyclic η3-Allyltricarbonyliron Complexes and Determination of the Absolute Configuration by X-Ray Crystal Structure Analysis

1999 ◽  
Vol 23 (9) ◽  
pp. 578-579
Author(s):  
Rainer Schobert ◽  
Hermann Pfab ◽  
Jutta Böhmer ◽  
Frank Hampel ◽  
Andreas Werner
Keyword(s):  
Crystal Structure ◽  
Silica Gel ◽  
Structure Analysis ◽  
Absolute Configuration ◽  
Crystal Structure Analysis ◽  
Preparative Scale ◽  
X Ray ◽  
The Absolute

Racemates of (η3-allyl)tricarbonyliron lactone complex Fe(CO)3{η1:η3-C(O)XCH2CHCMeCH2} 1a (X = O) and (η3-allyl)tricarbonyliron lactam complex 2a (X = NMe) are resolved on a preparative scale by HPLC on cellulose tris(3,5-dimethylphenyl)carbamate/silica gel RP-8 and the absolute configuration of (-)-2a is determined by X-ray crystal structure analysis.

Second-Generation Inhibitors for the Metalloprotease Neprilysin Based on Bicyclic Heteroaromatic Scaffolds: Synthesis, Biological Activity, and X-Ray Crystal-Structure Analysis

2005 ◽  
Vol 88 (4) ◽  
pp. 731-750 ◽  
Author(s):  
Stefan Sahli ◽  
Brian Frank ◽  
W. Bernd Schweizer ◽  
François Diederich ◽  
Denise Blum-Kaelin ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Biological Activity ◽  
Structure Analysis ◽  
Second Generation ◽  
Crystal Structure Analysis ◽  
X Ray
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