Information card for entry 2023528

Structure parameters

• Chemical name: (<i>E</i>)-2-[(Pyren-1-ylmethylidene)amino]ethanol
• Formula: C19 H15 N O
• Calculated formula: C19 H15 N O
• Title of publication: Crystal structure and Hirshfeld surface analyses, crystal voids, interaction energy calculations and energy frameworks of (E)-2-[(pyren-1-ylmethylidene)amino]ethanol
• Authors of publication: Eltayeb, Naser E.; Hökelek, Tuncer; Lasri, Jamal
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 7.447 ± 0.002 Å
• b: 20.916 ± 0.008 Å
• c: 8.446 ± 0.003 Å
• α: 90°
• β: 93.347 ± 0.009°
• γ: 90°
• Cell volume: 1313.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No