Information card for entry 2236222

Structure parameters

• Common name: 2-propoxybenzamide
• Chemical name: 2-propoxybenzamide
• Formula: C10 H13 N O2
• Calculated formula: C10 H13 N O2
• SMILES: CCCOc1ccccc1C(=O)N
• Title of publication: 2-Propoxybenzamide
• Authors of publication: Al Jasem, Yosef; al Hindawi, Bassam; Thiemann, Thies; White, Fraser
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2639 - o2640
• a: 6.0303 ± 0.0004 Å
• b: 11.1196 ± 0.0008 Å
• c: 14.414 ± 0.0011 Å
• α: 90°
• β: 98.647 ± 0.006°
• γ: 90°
• Cell volume: 955.54 ± 0.12 ų
• Cell temperature: 99.97 ± 0.14 K
• Ambient diffraction temperature: 99.97 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes