Information card for entry 2243009

Structure parameters

• Common name: 2-(Methylamino)tropone
• Chemical name: 2-(Methylamino)cyclohepta-2,4,6-trien-1-one
• Formula: C8 H9 N O
• Calculated formula: C8 H9 N O
• Title of publication: Crystal structure of 2-(methylamino)tropone
• Authors of publication: Jansen van Vuuren, Leandri; Visser, Hendrik G.; Schutte-Smith, Marietjie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1128 - 1132
• a: 17.635 ± 0.005 Å
• b: 7.817 ± 0.002 Å
• c: 16.718 ± 0.004 Å
• α: 90°
• β: 110.639 ± 0.009°
• γ: 90°
• Cell volume: 2156.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0681
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.1036
• 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: No