Information card for entry 7249947

Structure parameters

• Common name: Pranoprofen
• Chemical name: Pranoprofen
• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• Title of publication: Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses
• Authors of publication: Prohens, Rafel; Barbas, Rafael; Abrego, Guadalupe; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1742 - 1748
• a: 11.464 ± 0.00016 Å
• b: 10.37828 ± 0.00014 Å
• c: 10.88732 ± 0.00018 Å
• α: 90°
• β: 108.933 ± 0.001°
• γ: 90°
• Cell volume: 1225.26 ± 0.03 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 23.7501
• Goodness-of-fit parameter for all reflections: 1204.5
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.6194 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No