Information card for entry 2010277

Structure parameters

• Chemical name: Trans-1-methyl-3-amino-4-phenyl-2-azetidinone
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: O=C1N([C@@H]([C@H]1N)c1ccccc1)C
• Title of publication: <i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O
• Authors of publication: Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1933 - 1935
• a: 5.9478 ± 0.0005 Å
• b: 6.7797 ± 0.0003 Å
• c: 24.3482 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 981.82 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.0971
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No