Information card for entry 2239997

Structure parameters

• Common name: 2-pentyloxybenzamide
• Chemical name: 2-pentyloxybenzamide
• Formula: C12 H17 N O2
• Calculated formula: C12 H17 N O2
• SMILES: c1(c(cccc1)OCCCCC)C(=O)N
• Title of publication: Crystal structure of 2-pentyloxybenzamide
• Authors of publication: Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 231 - 234
• a: 8.183 ± 0.0002 Å
• b: 11.2706 ± 0.0002 Å
• c: 14.5386 ± 0.0004 Å
• α: 90°
• β: 119.696 ± 0.002°
• γ: 90°
• Cell volume: 1164.76 ± 0.05 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0499
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes