Information card for entry 8106825

Structure parameters

• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• SMILES: O=C(Nc1ccc(OC)cc1)c1c(N)cccc1
• Title of publication: Crystal structure of 2-amino-N-(4-methoxyphenyl)benzamide, C14H14N2O2
• Authors of publication: Mabkhot, Yahia Nasser; Barakat, Assem; Ghabbour, Hazem A.; Fun, Hoong-Kun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 203 - 204
• a: 13.5536 ± 0.0009 Å
• b: 5.073 ± 0.0003 Å
• c: 17.6641 ± 0.0012 Å
• α: 90°
• β: 100.448 ± 0.002°
• γ: 90°
• Cell volume: 1194.4 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No