Information card for entry 2019922

Structure parameters

• Chemical name: (2,7-Dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone
• Formula: C19 H15 F O3
• Calculated formula: C19 H15 F O3
• SMILES: Fc1cc(C(=O)c2c(OC)ccc3ccc(OC)cc23)ccc1
• Title of publication: Hydrogen bonding between aromatic H and F groups leading to a stripe structure withR- andS-columns: the crystal structure of (2,7-dimethoxynaphthalen-1-yl)(3-fluorophenyl)methanone and comparison with its 1-aroylnaphthalene analogues
• Authors of publication: Mohri, Saki; Ohisa, Shinji; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• a: 11.0057 ± 0.0002 Å
• b: 7.64555 ± 0.00014 Å
• c: 18.6746 ± 0.0003 Å
• α: 90°
• β: 103.671 ± 0.001°
• γ: 90°
• Cell volume: 1526.85 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes