Information card for entry 7063790

Structure parameters

• Formula: C12 H8 N2 O3
• Calculated formula: C12 H8 N2 O3
• Title of publication: tert-Butylnitrite promoted one-component based direct synthesis of 2-cyano substituted maleimide probes and their fluorescence turn-off sensing towards Fe3+
• Authors of publication: Sarkar, Prabhat; Paul, Shuba; Das, Supratim; Chowdhury, Tania; Mandal, Subham; Goswami, Sanchita; Bhaumik, Asim; Mukhopadhyay, Chhanda
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 9484 - 9490
• a: 7.1679 ± 0.0004 Å
• b: 7.7218 ± 0.0004 Å
• c: 10.2127 ± 0.0005 Å
• α: 96.893 ± 0.002°
• β: 90.608 ± 0.002°
• γ: 107.975 ± 0.002°
• Cell volume: 533.11 ± 0.05 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.064
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No