Information card for entry 2311826

Structure parameters

• Chemical name: <i>N</i>-(4-Chloro-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
• Formula: C15 H12 Cl3 N O
• Calculated formula: C15 H12 Cl3 N O
• SMILES: C(=O)(Nc1cc(c(Cl)cc1)C)Cc1c(Cl)cc(Cl)cc1
• Title of publication: Halogenated C,N-diarylacetamides: molecular conformations and supramolecular assembly.
• Authors of publication: Nayak, Prakash S.; Jasinski, Jerry P.; Golen, James A.; Narayana, Badiadka; Kaur, Manpreet; Yathirajan, Hemmige S.; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 9
• Pages of publication: 889 - 894
• a: 11.8441 ± 0.0007 Å
• b: 4.7288 ± 0.0003 Å
• c: 13.0981 ± 0.0007 Å
• α: 90°
• β: 101.31 ± 0.006°
• γ: 90°
• Cell volume: 719.36 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No