Information card for entry 2023598

Structure parameters

• Common name: 2-Phenyl-<i>N</i>-tosylazetidine
• Chemical name: 1-[(4-Methylphenyl)sulfonyl]-2-phenylazetidine
• Formula: C16 H17 N O2 S
• Calculated formula: C16 H17 N O2 S
• Title of publication: Crystal structure of 1-[(4-methylphenyl)sulfonyl]-2-phenylazetidine
• Authors of publication: Aroche, Berthy J.; Hernandez, Katherine Barraza; Marr, Zoe Y.; Stieber, S. Chantal E.; Thane, Taylor A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 11
• a: 21.3441 ± 0.0012 Å
• b: 5.5024 ± 0.0003 Å
• c: 12.1775 ± 0.0006 Å
• α: 90°
• β: 97.856 ± 0.002°
• γ: 90°
• Cell volume: 1416.75 ± 0.13 ų
• Cell temperature: 127 K
• Ambient diffraction temperature: 127 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No