Information card for entry 2311825

Structure parameters

• Chemical name: <i>N</i>-(4-Bromo-3-methylphenyl)-2-phenylacetamide
• Formula: C15 H14 Br N O
• Calculated formula: C15 H14 Br N O
• SMILES: C(=O)(Nc1cc(c(Br)cc1)C)Cc1ccccc1
• 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: 4.9995 ± 0.0003 Å
• b: 10.8392 ± 0.0004 Å
• c: 12.7301 ± 0.0007 Å
• α: 108.149 ± 0.004°
• β: 91.968 ± 0.005°
• γ: 90.31 ± 0.004°
• Cell volume: 655.05 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No