Structure determination of pharmaceutical compound.
Inquiry number
SOL-0000000958
Beamline
BL19B2 (X-ray Diffraction and Scattering II)
Scientific keywords
| A. Sample category | organic material, biology, medicine |
|---|---|
| B. Sample category (detail) | crystal, pharmaceuticals |
| C. Technique | X-ray diffraction |
| D. Technique (detail) | powder diffraction |
| E. Particular condition | |
| F. Photon energy | X-ray (4-40 keV) |
| G. Target information | structure analysis, crystal structure |
Industrial keywords
| level 1---Application area | Pharmaceuticals |
|---|---|
| level 2---Target | drug design, process analytical technology (PAT) |
| level 3---Target (detail) | active pharmaceutical ingredients (API), tablet |
| level 4---Obtainable information | crystal structure |
| level 5---Technique | diffraction |
Classification
A80.50 Pharmaceuticals, M10.20 powder diffraction
Body text
In this solution, a powder diffraction method was applied to pharmaceutical compound(Cimetidin:C10H16N6S1) to analyze a crystal structure. These data determined a structural parameter by the direct method with software EXPO2004.
Fig. Crystal structure of Cimetidine
Source of the figure
Private communication/others
Description
Keiko Miura
Technique
The powder diffraction method is a powerful technique to study the crystal structure. The technique is applicable to an organic and an inorganic materials and provides knowledge about parameter of crystal structure.
Source of the figure
No figure
Required time for experimental setup
0.5 hour(s)
Instruments
| Instrument | Purpose | Performance |
|---|---|---|
| The Large Debye-Scherrer camera | analysis of crystal structure | Imaging Plate, spinner |
References
| Document name |
|---|
| 追加も可 原著論文 装置の参考文献よりもテーマもしくは図 著者・雑誌名・ページなど |
Related experimental techniques
Questionnaire
The measurement was possible only in SPring-8. Impossible or very difficult in other facilities.
This solution is an application of a main instrument of the beamline.
Ease of measurement
Easy
Ease of analysis
Middle
How many shifts were needed for taking whole data in the figure?
Less than one shift