Information card for entry 1569590

Structure parameters

• Chemical name: <i>N</i>-(5-Cyanononan-5-yl)benzamide
• Formula: C17 H24 N2 O
• Calculated formula: C17 H24 N2 O
• SMILES: O=C(NC(CCCC)(CCCC)C#N)c1ccccc1
• Title of publication: N-(5-Cyanononan-5-yl)benzamide
• Authors of publication: Song, Xueqing; Li, William
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 7
• Pages of publication: x230639
• a: 10.3939 ± 0.0001 Å
• b: 17.668 ± 0.0002 Å
• c: 17.6653 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3244.05 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No