Information card for entry 2009296

Structure parameters

• Formula: C16 H12 Cl3 N O2
• Calculated formula: C16 H12 Cl3 N O2
• SMILES: ClC1(Cl)C(=O)N(c2ccc(Cl)cc2)C1c1ccc(OC)cc1
• Title of publication: 3,3-Dichloro-1-(<i>p</i>-chlorophenyl)-4-(<i>p</i>-methoxyphenyl)-2-azetidinone
• Authors of publication: Kabak, Mehmet; Elerman, Yalc̨in; Güner, Vildan; Yildirir, Süleyman; Durlu, Tahsin Nuri
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2115 - 2117
• a: 5.865 ± 0.002 Å
• b: 14.179 ± 0.003 Å
• c: 19.487 ± 0.003 Å
• α: 90°
• β: 94.33 ± 0.04°
• γ: 90°
• Cell volume: 1615.9 ± 0.7 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 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 all reflections: 0.121
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes