Information card for entry 2213278

Structure parameters

• Common name: Methyl 2-pyrrolyl ketone
• Chemical name: 2-Acetylpyrrole
• Formula: C6 H7 N O
• Calculated formula: C6 H7 N O
• Title of publication: 2-Acetylpyrrole
• Authors of publication: Camarillo, E. Adriana; Flores, Henoc; Amador, Patricia; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2593 - o2594
• a: 9.762 ± 0.002 Å
• b: 5.172 ± 0.002 Å
• c: 11.731 ± 0.003 Å
• α: 90°
• β: 90.158 ± 0.005°
• γ: 90°
• Cell volume: 592.3 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes