Information card for entry 2203806

Structure parameters

• Chemical name: 3-(2-biphenyl)sydnone
• Formula: C14 H10 N2 O2
• Calculated formula: C14 H10 N2 O2
• SMILES: O=C1ON=N(c2c(cccc2)c2ccccc2)=C1
• Title of publication: 3-(2-Biphenyl)sydnone
• Authors of publication: Riddle, Gordon B.; Grossie, David A.; Turnbull, Kenneth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o977 - o978
• a: 11.012 ± 0.015 Å
• b: 8.31 ± 0.015 Å
• c: 12.941 ± 0.015 Å
• α: 90°
• β: 108.406 ± 0.015°
• γ: 90°
• Cell volume: 1124 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0538
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.70998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes