Information card for entry 2312099

Structure parameters

• Chemical name: <i>N</i>-{3-[(2<i>E</i>)-3-(4-Methylphenyl)prop-2-enoyl]phenyl}acetamide
• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: O=C(/C=C/c1ccc(cc1)C)c1cc(NC(=O)C)ccc1
• 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: 25.1922 ± 0.0005 Å
• b: 5.7621 ± 0.0001 Å
• c: 20.7012 ± 0.0004 Å
• α: 90°
• β: 109.066 ± 0.001°
• γ: 90°
• Cell volume: 2840.14 ± 0.09 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: 0.0364
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes