Information card for entry 2239150

Structure parameters

• Chemical name: 2-(6-Hydroxy-1-benzofuran-3-yl)acetamide
• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: NC(=O)Cc1coc2c1ccc(c2)O
• Title of publication: 2-(6-Hydroxy-1-benzofuran-3-yl)acetamide
• Authors of publication: Arunakumar, D. B.; Krishnaswamy, G.; Sreenivasa, S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o87
• a: 5.0939 ± 0.0003 Å
• b: 9.3629 ± 0.0005 Å
• c: 18.7422 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.88 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes