Information card for entry 2311398

Structure parameters

• Chemical name: 2-(Benzofuran-2-yl)-2-oxoethyl 2-methoxybenzoate
• Formula: C18 H14 O5
• Calculated formula: C18 H14 O5
• SMILES: o1c2ccccc2cc1C(=O)COC(=O)c1c(OC)cccc1
• Title of publication: Steric repulsion and supra-molecular assemblies <i>via</i> a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates.
• Authors of publication: Then, Li Yee; Chidan Kumar, C. S.; Kwong, Huey Chong; Win, Yip-Foo; Mah, Siau Hui; Quah, Ching Kheng; Naveen, S.; Warad, Ismail
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 8
• Pages of publication: 1227 - 1231
• a: 7.4094 ± 0.0003 Å
• b: 9.7566 ± 0.0004 Å
• c: 10.5832 ± 0.0005 Å
• α: 83.43 ± 0.001°
• β: 71.808 ± 0.001°
• γ: 87.265 ± 0.001°
• Cell volume: 721.99 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No