title: High-resolution solid-state carbon-13 nuclear magnetic resonance spectra of mofebutazone, phenylbutazone, and oxyphenbutazone in relation to X-ray crystallographic data.
abstract: 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.
authors.affiliation: College of Pharmacy, University of Pretoria, Republic of South Africa.
authors.forename: M
authors.initials: M
authors.lastname: Stoltz
authors.forename: D W
authors.initials: DW
authors.lastname: Oliver
authors.forename: P L
authors.initials: PL
authors.lastname: Wessels
authors.forename: A A
authors.initials: AA
authors.lastname: Chalmers
mesh_terms: 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
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D002247:Carbon Isotopes; D010653:Phenylbutazone; D010113:Oxyphenbutazone; C002374:mofebutazone