Information card for entry 2013753

Structure parameters

• Chemical name: 2,4,6-trimethylbenzamide
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: O=C(N)c1c(cc(cc1C)C)C
• Title of publication: 2,4,6-Trimethylbenzamide
• Authors of publication: Maria Gdaniec; Teresa Olszewska; Tadeusz Połoński
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o41 - o43
• a: 14.2587 ± 0.0009 Å
• b: 8.5369 ± 0.0006 Å
• c: 14.9245 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1816.7 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes