Information card for entry 7249798

Structure parameters

• Formula: C15 H15 Br N2 O
• Calculated formula: C15 H15 Br N2 O
• Title of publication: Unraveling the structure–property relationships in fluorescent phenylhydrazones: the role of substituents and molecular interactions
• Authors of publication: Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata; Kolińska, Jolanta
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1514 - 1526
• a: 5.304 ± 0.0001 Å
• b: 8.7988 ± 0.0001 Å
• c: 29.2208 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1363.7 ± 0.03 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No