Information card for entry 7249792

Structure parameters

• Formula: C12 H11 N3 O4
• Calculated formula: C12 H11 N3 O4
• 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: 6.4229 ± 0.0003 Å
• b: 7.1501 ± 0.0002 Å
• c: 13.024 ± 0.0004 Å
• α: 74.165 ± 0.002°
• β: 84.153 ± 0.003°
• γ: 86.204 ± 0.003°
• Cell volume: 571.97 ± 0.04 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 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: 0.0399
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No