Information card for entry 7250609

Structure parameters

• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• Title of publication: H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures
• Authors of publication: Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 30
• Pages of publication: 5162 - 5172
• a: 41.5257 ± 0.0016 Å
• b: 12.188 ± 0.0005 Å
• c: 7.6472 ± 0.0004 Å
• α: 90°
• β: 90.053 ± 0.004°
• γ: 90°
• Cell volume: 3870.4 ± 0.3 ų
• Cell temperature: 288 ± 19 K
• Ambient diffraction temperature: 288 ± 19 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: 0.1703
• Residual factor for significantly intense reflections: 0.1195
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.3429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No