Information card for entry 2244224

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Diphenyl-2-[1-(propylamino)ethylidene]propanediamide
• Formula: C20 H23 N3 O2
• Calculated formula: C20 H23 N3 O2
• Title of publication: Two polymorphs of <i>N</i>,<i>N</i>'-diphenyl-2-[1-(propyl-amino)-ethyl-idene]propanedi-amide.
• Authors of publication: Herbig, Marcus; Böhme, Uwe
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 308 - 312
• a: 27.7071 ± 0.0011 Å
• b: 27.7071 ± 0.0011 Å
• c: 9.4575 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7260.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes