Information card for entry 2237069

Structure parameters

• Chemical name: (2,4,6-Trimethylphenyl){2-[<i>N</i>-(2,4,6- trimethylphenyl)formamido]ethyl}ammonium chloride
• Formula: C21 H29 Cl N2 O
• Calculated formula: C21 H29 Cl N2 O
• SMILES: c1(c(cc(cc1C)C)C)N(C=O)CC[NH2+]c1c(cc(cc1C)C)C.[Cl-]
• Title of publication: (2,4,6-Trimethylphenyl){2-[<i>N</i>-(2,4,6-trimethylphenyl)formamido]ethyl}ammonium chloride
• Authors of publication: Ikhile, Monisola I.; Bala, Muhammad D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3263
• a: 8.2516 ± 0.0002 Å
• b: 8.8822 ± 0.0002 Å
• c: 14.7524 ± 0.0004 Å
• α: 74.857 ± 0.002°
• β: 86.315 ± 0.002°
• γ: 74.635 ± 0.002°
• Cell volume: 1006.38 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes