Information card for entry 2312098

Structure parameters

• Chemical name: (2<i>E</i>)-3-(4-Methylphenyl)-1-(3-{[(4-methylphenyl)methylidene]amino}phenyl)prop-2-en-1-one
• Formula: C24 H21 N O
• Calculated formula: C24 H21 N O
• Title of publication: Crystal structures, Hirshfeld analysis, and energy framework analysis of two differently 3'-substituted 4-methylchalcones: 3'-(N=CHC₆H₄-p-CH₃)-4-methylchalcone and 3'-(NHCOCH₃)-4-methylchalcone.
• Authors of publication: Battaglia, Zachary O.; Kersten, Jordan T.; Nicol, Elise M.; Whitworth, Paloma; Wheeler, Kraig A.; Hall, Charlie L.; Potticary, Jason; Hamilton, Victoria; Hall, Simon R.; D'Ambruoso, Gemma D; Matsumoto, Masaomi; Warren, Stephen D.; Cremeens, Matthew E.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 217 - 226
• a: 19.5522 ± 0.0013 Å
• b: 5.8693 ± 0.0004 Å
• c: 31.3714 ± 0.0019 Å
• α: 90°
• β: 91.438 ± 0.004°
• γ: 90°
• Cell volume: 3599 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes