Information card for entry 7248283

Structure parameters

• Common name: ETHYL MALTOL
• Chemical name: 2-ETHYL-3-HYDROXY-4-PYRANONE
• Formula: C7 H8 O3
• Calculated formula: C7 H8 O3
• SMILES: OC1=C(OC=CC1=O)CC
• Title of publication: Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments
• Authors of publication: Thirumalaisamy, Anitha; Karuppannan, Srinivasan
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 1902 - 1911
• a: 7.1414 ± 0.0008 Å
• b: 7.6229 ± 0.0008 Å
• c: 7.6784 ± 0.0008 Å
• α: 62.162 ± 0.003°
• β: 68.379 ± 0.003°
• γ: 76.408 ± 0.003°
• Cell volume: 342.61 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No