Information card for entry 2237224

Structure parameters

• Chemical name: 2-Hydroxy-4-(prop-2-ynyloxy)benzaldehyde
• Formula: C10 H8 O3
• Calculated formula: C10 H8 O3
• SMILES: O(c1cc(c(cc1)C=O)O)CC#C
• Title of publication: 2-Hydroxy-4-(prop-2-ynyloxy)benzaldehyde
• Authors of publication: Selvarani, V.; Neelakantan, M.A.; Silambarasan, V.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o64
• a: 7.0835 ± 0.0005 Å
• b: 10.4059 ± 0.0007 Å
• c: 12.8461 ± 0.0008 Å
• α: 73.91 ± 0.003°
• β: 89.756 ± 0.004°
• γ: 73.436 ± 0.004°
• Cell volume: 869.16 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes