Information card for entry 8107014

Structure parameters

• Formula: C11 H14 N2 O2
• Calculated formula: C11 H14 N2 O2
• Title of publication: Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 809 - 810
• a: 7.5411 ± 0.0002 Å
• b: 11.5148 ± 0.0002 Å
• c: 12.537 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1088.64 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0323
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No