Information card for entry 1542728

Structure parameters

• Chemical name: <i>N</i>-Hexyl-3,4-dihydroxybenzamide
• Formula: C13 H19 N O3
• Calculated formula: C13 H19 N O3
• SMILES: c1(c(cc(cc1)C(=O)NCCCCCC)O)O
• Title of publication: <i>N</i>-Hexyl-3,4-dihydroxybenzamide
• Authors of publication: Moriguchi, Tetsuji; Kamoto, Ryota; Jalli, Venkataprasad; Tsuge, Akihiko
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160346
• a: 5.2542 ± 0.0017 Å
• b: 10.374 ± 0.003 Å
• c: 11.341 ± 0.004 Å
• α: 94.937 ± 0.003°
• β: 102.429 ± 0.003°
• γ: 102.811 ± 0.003°
• Cell volume: 582.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes