Information card for entry 2229437

Structure parameters

• Chemical name: 4-Hexyloxybenzamide
• Formula: C13 H19 N O2
• Calculated formula: C13 H19 N O2
• SMILES: O(c1ccc(cc1)C(=O)N)CCCCCC
• Title of publication: 4-Hexyloxybenzamide
• Authors of publication: Kwong, Huey Chong; Rahman, Mohamad Zaki Ab.; Mohamed Tahir, Mohamed Ibrahim; Silong, Sidik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o612
• a: 12.5507 ± 0.0002 Å
• b: 5.16441 ± 0.00009 Å
• c: 18.9322 ± 0.0003 Å
• α: 90°
• β: 91.4702 ± 0.0016°
• γ: 90°
• Cell volume: 1226.72 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0394
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0093
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes