Information card for entry 7212657

Structure parameters

• Common name: Mpp
• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• Title of publication: Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides
• Authors of publication: Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3080
• a: 5.6975 ± 0.0004 Å
• b: 16.886 ± 0.0013 Å
• c: 11.0191 ± 0.0005 Å
• α: 90°
• β: 101.594 ± 0.004°
• γ: 90°
• Cell volume: 1038.49 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1424
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No