Information card for entry 2230467

Structure parameters

• Common name: 4-Acetyl-3-(<i>p</i>-anisyl)sydnone
• Chemical name: 4-Acetyl-3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate
• Formula: C11 H10 N2 O4
• Calculated formula: C11 H10 N2 O4
• SMILES: O1N=N(=C(C1=O)C(=O)C)c1ccc(OC)cc1
• Title of publication: 4-Acetyl-3-(<i>p</i>-anisyl)sydnone
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Nithinchandra; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1489
• a: 9.6338 ± 0.0008 Å
• b: 10.0679 ± 0.0007 Å
• c: 22.4108 ± 0.0018 Å
• α: 86.938 ± 0.003°
• β: 78.049 ± 0.002°
• γ: 89.891 ± 0.002°
• Cell volume: 2123.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0704
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes