Information card for entry 2212893

Structure parameters

• Chemical name: 3,5-bis[4-(dimethylamino)benzylidene]-1-methyl-4-piperidone
• Formula: C24 H29 N3 O
• Calculated formula: C24 H29 N3 O
• SMILES: O=C1C(=C/c2ccc(N(C)C)cc2)/CN(C)C\C1=C/c1ccc(N(C)C)cc1
• Title of publication: An orthorhombic polymorph of 3,5-bis[4-(dimethylamino)benzylidene]-1-methyl-4-piperidone
• Authors of publication: Vladimir N. Nesterov; Sergey S. Sarkisov; Michael J. Curley; Augustine Urbas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1785 - o1787
• a: 12.0395 ± 0.0017 Å
• b: 22.298 ± 0.003 Å
• c: 7.6686 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2058.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1365
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes