Information card for entry 2237691

Structure parameters

• Chemical name: <i>N</i>-Cyclohexyl-3-methylbenzamidine
• Formula: C14 H20 N2
• Calculated formula: C14 H20 N2
• SMILES: N(C1CCCCC1)C(=N)c1cccc(c1)C
• Title of publication: <i>N</i>-Cyclohexyl-3-methylbenzamidine
• Authors of publication: Liu, Rui-Qin; Bai, Sheng-Di; Wang, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o520
• a: 9.064 ± 0.002 Å
• b: 11.417 ± 0.003 Å
• c: 12.311 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1274 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes