Information card for entry 2213761

Structure parameters

• Chemical name: N-(2-Bromo-3-pyridyl)-3-methylbut-2-enamide
• Formula: C10 H11 Br N2 O
• Calculated formula: C10 H11 Br N2 O
• SMILES: c1(c(cccn1)NC(=O)C=C(C)C)Br
• Title of publication: <i>N</i>-(2-Bromo-3-pyridyl)-3-methylbut-2-enamide
• Authors of publication: Walji, Dhiran V. B.; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2815 - o2816
• a: 6.5351 ± 0.0012 Å
• b: 8.1108 ± 0.0013 Å
• c: 20.222 ± 0.004 Å
• α: 90°
• β: 98.387 ± 0.004°
• γ: 90°
• Cell volume: 1060.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes