Information card for entry 8102204

Structure parameters

• Chemical name: N-benzylsalicylamide
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: Oc1c(cccc1)C(=O)NCc1ccccc1
• Title of publication: Crystal structure of N-benzylsalicylamide, C~14~H~13~NO~2~
• Authors of publication: Liu, Sheng-Li; Liang, En-Xiang; Yu, Liang-Cai; Huang, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 4
• Pages of publication: 433 - 434
• a: 12.457 ± 0.003 Å
• b: 8.351 ± 0.002 Å
• c: 12.584 ± 0.003 Å
• α: 90°
• β: 118.296 ± 0.011°
• γ: 90°
• Cell volume: 1152.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2106
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No