High-resolution solid-state carbon-13 nuclear magnetic resonance spectra of mofebutazone, phenylbutazone, and oxyphenbutazone in relation to X-ray crystallographic data.
The solid-state 13C NMR spectra of mofebutazone, phenylbutazone, and oxyphenbutazone monohydrate and anhydrate are presented. The crystal structures of these pyrazolidinedione derivatives, obtained by single-crystal X-ray analysis, were previously reported, revealing distinct differences in crystal structure. In this report, the chemical shift values observed for the solid-state 13C spectra are related to the chemical environment of the various carbon atoms and compared with the crystallographic data. Results indicate that solid-state NMR spectroscopy is potentially useful in the study of drugs in the solid state.
Stoltz
M
M
College of Pharmacy, University of Pretoria, Republic of South Africa.
Oliver
D W
DW
Wessels
P L
PL
Chalmers
A A
AA
D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry*; D002247:Carbon Isotopes; D003198:Computer Simulation; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D010113:Oxyphenbutazone / Q000737:chemistry*; D010653:Phenylbutazone / Q000031:analogs & derivatives* / Q000737:chemistry*; D014961:X-Ray Diffraction
D000894:Anti-Inflammatory Agents, Non-Steroidal; D002247:Carbon Isotopes; D010653:Phenylbutazone; D010113:Oxyphenbutazone; C002374:mofebutazone