Information card for entry 7249800

Structure parameters

• Formula: C12 H11 N3 O3 S
• Calculated formula: C12 H11 N3 O3 S
• 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: 9.9238 ± 0.0001 Å
• b: 23.4635 ± 0.0003 Å
• c: 11.492 ± 0.0002 Å
• α: 90°
• β: 105.805 ± 0.001°
• γ: 90°
• Cell volume: 2574.72 ± 0.06 ų
• Cell temperature: 105 ± 7 K
• Ambient diffraction temperature: 105 ± 7 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No