Information card for entry 2007485

Structure parameters

• Chemical name: 2-(4-nitroanilino)-phenethylalcohol
• Formula: C14 H14 N2 O3
• Calculated formula: C14 H14 N2 O3
• SMILES: O=N(=O)c1ccc(NC(CO)c2ccccc2)cc1
• Title of publication: 2-(4-Nitroanilino)-2-phenylethanol
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 955 - 957
• a: 18.618 ± 0.002 Å
• b: 18.618 ± 0.002 Å
• c: 18.618 ± 0.002 Å
• α: 118.34 ± 0.01°
• β: 118.34 ± 0.01°
• γ: 118.34 ± 0.01°
• Cell volume: 2141 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.1092
• Goodness-of-fit parameter for all reflections: 0.798
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No