Information card for entry 8104893

Structure parameters

• Common name: <i>N</i>-Benzyl-</i>N</i>-nicotinoyl-nicotine amide
• Chemical name: <i>N</i>-Benzyl-</i>N</i>-nicotinoyl-nicotine amide
• Formula: C19 H15 N3 O2
• Calculated formula: C19 H15 N3 O2
• Title of publication: Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C19H15N3O2
• Authors of publication: Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 101 - 103
• a: 18.4336 ± 0.0013 Å
• b: 6.0321 ± 0.0004 Å
• c: 15.0585 ± 0.001 Å
• α: 90°
• β: 112.171 ± 0.003°
• γ: 90°
• Cell volume: 1550.6 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No