Information card for entry 2023326

Structure parameters

• Chemical name: (2<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one
• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• Title of publication: Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one
• Authors of publication: Madhan, Sundarasamy; Nizam Mohideen, Mohamed Hanifa; Viswanathan, Vijayan; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 9.6337 ± 0.0001 Å
• b: 9.8825 ± 0.0002 Å
• c: 12.8446 ± 0.0003 Å
• α: 87.546 ± 0.002°
• β: 86.605 ± 0.001°
• γ: 70.914 ± 0.003°
• Cell volume: 1153.26 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No