Information card for entry 2241504

Structure parameters

• Common name: 5-methoxy-benzofuran-3-yl-acetic acid
• Chemical name: 2-(5-Methoxy-1-benzofuran-3-yl)acetic acid
• Formula: C11 H10 O4
• Calculated formula: C11 H10 O4
• SMILES: c1(cc2c(cc1)occ2CC(=O)O)OC
• Title of publication: Crystal structure of 2-(5-methoxy-1-benzofuran-3-yl)acetic acid
• Authors of publication: Gowda, Ramakrishna; Gowda, K. V. Arjuna; Reddy, M. Keshava; Basanagouda, Mahantesha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1053 - o1054
• a: 5.8096 ± 0.0003 Å
• b: 13.2034 ± 0.0005 Å
• c: 12.5738 ± 0.0006 Å
• α: 90°
• β: 97.641 ± 0.003°
• γ: 90°
• Cell volume: 955.93 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes