Information card for entry 2228545

Structure parameters

• Common name: 3-(<i>p</i>-Anisyl)sydnone
• Chemical name: 3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
• Formula: C9 H8 N2 O3
• Calculated formula: C9 H8 N2 O3
• SMILES: O1N=N(c2ccc(OC)cc2)=CC1=O
• Title of publication: 3-(<i>p</i>-Anisyl)sydnone
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Nithinchandra; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3252
• a: 7.0505 ± 0.0002 Å
• b: 9.822 ± 0.0003 Å
• c: 12.0934 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 837.47 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes