Information card for entry 1542882

Structure parameters

• Common name: 2,4,6-trimethylbenzene-1,3-diamine
• Chemical name: 2,4,6-Trimethylbenzene-1,3-diamine
• Formula: C9 H14 N2
• Calculated formula: C9 H14 N2
• SMILES: Nc1c(c(N)c(cc1C)C)C
• Title of publication: Diaminomesitylene
• Authors of publication: Brihi, Ouarda; Hamdouni, Noudjoud; Boulcina, Raouf; Medjani, Meriem; Meinnel, Jean; Boudjada, Ali
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160351
• a: 8.1735 ± 0.0007 Å
• b: 12.9313 ± 0.0009 Å
• c: 8.73 ± 0.0008 Å
• α: 90°
• β: 105.803 ± 0.009°
• γ: 90°
• Cell volume: 887.83 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections: 0.162
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes