Information card for entry 7206174

Structure parameters

• Chemical name: 7-methoxy-5-methyl-4H-chromen-4-one
• Formula: C11 H10 O3
• Calculated formula: C11 H10 O3
• SMILES: o1c2c(c(cc(c2)OC)C)c(=O)cc1
• Title of publication: Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses
• Authors of publication: Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4528
• a: 3.8431 ± 0.0004 Å
• b: 20.241 ± 0.002 Å
• c: 11.3553 ± 0.0011 Å
• α: 90°
• β: 95.841 ± 0.002°
• γ: 90°
• Cell volume: 878.72 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No