Information card for entry 7203556

Structure parameters

• Common name: 3 amino 2 naphthol
• Chemical name: 3 amino 2 naphthol
• Formula: C10 H9 N O
• Calculated formula: C10 H9 N O
• SMILES: Oc1cc2c(cc1N)cccc2
• Title of publication: Crystal structure prediction with the supramolecular synthon approach: Experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction
• Authors of publication: Dey, Archan; Pati, Narendra Nath; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 751
• a: 15.1054 ± 0.0013 Å
• b: 6.0153 ± 0.0005 Å
• c: 8.4629 ± 0.0007 Å
• α: 90°
• β: 99.582 ± 0.001°
• γ: 90°
• Cell volume: 758.24 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1121
• 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: No