Information card for entry 2226108

Structure parameters

• Chemical name: 4-Formyl-3-<i>p</i>-tolylsydnone
• Formula: C10 H8 N2 O3
• Calculated formula: C10 H8 N2 O3
• SMILES: O1N=N(c2ccc(cc2)C)=C(C1=O)C=O
• Title of publication: 4-Formyl-3-<i>p</i>-tolylsydnone
• Authors of publication: Goh, Jia Hao; Fun, Hoong-Kun; Nithinchandra; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1303
• a: 10.5663 ± 0.0004 Å
• b: 10.4088 ± 0.0003 Å
• c: 8.963 ± 0.0003 Å
• α: 90°
• β: 108.222 ± 0.001°
• γ: 90°
• Cell volume: 936.34 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0511
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes