Information card for entry 2200715

Structure parameters

• Common name: Nitrilotrisacetanilide
• Chemical name: Nitrilotriacetanilide
• Formula: C24 H24 N4 O3
• Calculated formula: C24 H24 N4 O3
• SMILES: O=C(Nc1ccccc1)CN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1
• Title of publication: Nitrilotriacetanilide
• Authors of publication: John M. Rowland; Gerardo J. Ibanez; Marilyn M. Olmstead; Michael Ruf; Pradip K. Mascharak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1001 - o1003
• a: 8.411 ± 0.002 Å
• b: 8.819 ± 0.002 Å
• c: 14.886 ± 0.004 Å
• α: 84.684 ± 0.006°
• β: 82.425 ± 0.006°
• γ: 68.439 ± 0.006°
• Cell volume: 1016.8 ± 0.4 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes