Information card for entry 2236768

Structure parameters

• Chemical name: 2-Acetyl-1,1,3,3-tetramethylguanidine
• Formula: C7 H15 N3 O
• Calculated formula: C7 H15 N3 O
• SMILES: C(=N\C(=O)C)(N(C)C)/N(C)C
• Title of publication: 2-Acetyl-1,1,3,3-tetramethylguanidine
• Authors of publication: Tiritiris, Ioannis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2996
• a: 6.7625 ± 0.0003 Å
• b: 17.861 ± 0.0008 Å
• c: 7.6687 ± 0.0004 Å
• α: 90°
• β: 103.107 ± 0.002°
• γ: 90°
• Cell volume: 902.13 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes