Information card for entry 2229064

Structure parameters

• Chemical name: 2-Hydroxyethyl 4-hydroxybenzoate
• Formula: C9 H10 O4
• Calculated formula: C9 H10 O4
• SMILES: Oc1ccc(cc1)C(=O)OCCO
• Title of publication: 2-Hydroxyethyl 4-hydroxybenzoate
• Authors of publication: Jeyalaxmi, M.; Jagadeesan, G.; Arulmoli, J.; Singh, D. Roop; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o442
• a: 4.4235 ± 0.001 Å
• b: 5.685 ± 0.0017 Å
• c: 8.705 ± 0.0017 Å
• α: 80.819 ± 0.013°
• β: 79.943 ± 0.014°
• γ: 81.804 ± 0.014°
• Cell volume: 211.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes