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Crystal structure of lubiprostone Polymorph B, C20H32F2O5
| Content Provider | Scilit |
|---|---|
| Author | Kaduk, James A. Gindhart, Amy M. Blanton, Thomas N. |
| Copyright Year | 2018 |
| Description | The crystal structure of lubiprostone has been refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Lubiprostone crystallizes in space group P1 (#1) with a = 9.02025(2), b = 10.72121(2), c = 12.32817(4) Å, α = 78.5566(2), β = 69.6858(2), γ = 77.3292(2)°, V = 1081.069(3) $Å^{3}$, and Z = 2. The two independent molecules occur in an extended conformation, aligned approximately along the c-axis. The hydrophobic side chains are adjacent to each other, resulting in layers parallel to the ac plane. The two carboxylic acid groups form an eight-membered ring, resulting in dimers of the two independent molecules. Each hydroxyl group acts as a hydrogen bond donor to the ketone of the fused ring system. The powder pattern is included in the Powder Diffraction File™ as entry 00-066-1622. |
| Related Links | https://www.cambridge.org/core/services/aop-cambridge-core/content/view/D2DDC787F8BD2E3E50ED172D17A023C5/S0885715618000660a.pdf/div-class-title-crystal-structure-of-lubiprostone-polymorph-b-c-span-class-sub-20-span-h-span-class-sub-32-span-f-span-class-sub-2-span-o-span-class-sub-5-span-div.pdf |
| Ending Page | 314 |
| Page Count | 5 |
| Starting Page | 310 |
| ISSN | 08857156 |
| e-ISSN | 19457413 |
| DOI | 10.1017/s0885715618000660 |
| Journal | Powder Diffraction |
| Issue Number | 4 |
| Volume Number | 33 |
| Language | English |
| Publisher | Cambridge University Press (CUP) |
| Publisher Date | 2018-12-01 |
| Access Restriction | Open |
| Subject Keyword | Powder Diffraction Characterization and Testing of Materials Rietveld Refinement Density Functional Theory |
| Content Type | Text |
| Resource Type | Article |
| Subject | Instrumentation Condensed Matter Physics Materials Science Radiation |
