Information card for entry 2203590

Structure parameters

• Chemical name: Indan-1,2-dione 2-oxime
• Formula: C9 H7 N O2
• Calculated formula: C9 H7 N O2
• SMILES: C1(=O)C(=N\O)\Cc2c1cccc2
• Title of publication: An instance of tandem hydrogen bonding: the geometry of indan-1,2-dione 2-oxime in the solid state
• Authors of publication: Hartung, Jens; Špehar, Kristina; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o752 - o753
• a: 6.169 ± 0.002 Å
• b: 5.41 ± 0.002 Å
• c: 22.606 ± 0.004 Å
• α: 90°
• β: 95.97 ± 0.02°
• γ: 90°
• Cell volume: 750.4 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes