Information card for entry 2240488

Structure parameters

• Chemical name: <i>N</i>-[(2-Hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide
• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• SMILES: C(c1ccc(C)cc1)(c1c(ccc2c1cccc2)O)NC(=O)C
• Title of publication: Crystal structure of <i>N</i>-[(2-hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide
• Authors of publication: Khanapure, Sharanbasappa; Rashinkar, Gajanan; Chhowala, Tarulata; Anthal, Sumati; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o235
• a: 10.4324 ± 0.0004 Å
• b: 14.0786 ± 0.0005 Å
• c: 11.0356 ± 0.0004 Å
• α: 90°
• β: 98.741 ± 0.002°
• γ: 90°
• Cell volume: 1602.01 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0495
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes