Information card for entry 2005105

Structure parameters

• Chemical name: 3,3-dichlor-4-(p-metoxyphenyl)-1-phenyl-2-azetidinone
• Formula: C16 H13 Cl2 N O2
• Calculated formula: C16 H13 Cl2 N O2
• SMILES: ClC1(Cl)C(=O)N(C1c1ccc(OC)cc1)c1ccccc1
• Title of publication: 3,3-Dichloro-4-(<i>p</i>-methoxyphenyl)-1-phenyl-2-azetidinone
• Authors of publication: Ercan, F.; Ülkü, D.; Güner, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1779 - 1780
• a: 5.739 ± 0.003 Å
• b: 14.237 ± 0.002 Å
• c: 18.644 ± 0.002 Å
• α: 90°
• β: 93.65 ± 0.01°
• γ: 90°
• Cell volume: 1520.2 ± 0.8 ų
• Cell temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 0.64
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No