Information card for entry 2217941

Structure parameters

• Chemical name: 2-(2-hydroxyethyl)phthalazin-1(2<i>H</i>)-one
• Formula: C10 H10 N2 O2
• Calculated formula: C10 H10 N2 O2
• SMILES: O=c1n(ncc2c1cccc2)CCO
• Title of publication: 2-(2-Hydroxyethyl)phthalazin-1(2<i>H</i>)-one
• Authors of publication: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o756
• a: 7.3278 ± 0.0006 Å
• b: 8.1823 ± 0.0008 Å
• c: 15.4108 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 924 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes