Information card for entry 2227335

Structure parameters

• Chemical name: <i>N</i>-(6-Bromomethyl-2-pyridyl)acetamide
• Formula: C8 H9 Br N2 O
• Calculated formula: C8 H9 Br N2 O
• SMILES: BrCc1cccc(n1)NC(=O)C
• Title of publication: <i>N</i>-(6-Bromomethyl-2-pyridyl)acetamide
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Das, Nirmal Kumar; Sen, Debabrata; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2500
• a: 4.1894 ± 0.0008 Å
• b: 26.219 ± 0.005 Å
• c: 23.817 ± 0.004 Å
• α: 90°
• β: 94.148 ± 0.004°
• γ: 90°
• Cell volume: 2609.3 ± 0.8 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0473
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes