Information card for entry 2235853

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-<i>N</i>-(5-methylpyridin-2-yl)acetamide
• Formula: C14 H13 Br N2 O
• Calculated formula: C14 H13 Br N2 O
• SMILES: Brc1ccc(CC(=O)Nc2ncc(cc2)C)cc1
• Title of publication: 2-(4-Bromophenyl)-<i>N</i>-(5-methylpyridin-2-yl)acetamide
• Authors of publication: Fun, Hoong-Kun; Ooi, Chin Wei; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2526
• a: 14.0086 ± 0.0016 Å
• b: 9.4215 ± 0.0011 Å
• c: 20.61 ± 0.002 Å
• α: 90°
• β: 109.04 ± 0.002°
• γ: 90°
• Cell volume: 2571.3 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes