Information card for entry 2219595

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3-methoxyphenyl)benzamide
• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: C(=O)(c1ccc(Cl)cc1)Nc1cc(OC)ccc1
• Title of publication: 4-Chloro-<i>N</i>-(3-methoxyphenyl)benzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Simpson, Jim; Stanley, Roderick G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1976
• a: 9.6952 ± 0.0004 Å
• b: 10.5671 ± 0.0003 Å
• c: 24.3512 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2494.78 ± 0.15 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes