Information card for entry 2017120

Structure parameters

• Common name: 4-chloro-1-hydroxynaphthalene
• Chemical name: 4-Chloro-1-naphthol
• Formula: C10 H7 Cl O
• Calculated formula: C10 H7 Cl O
• SMILES: Clc1ccc(O)c2c1cccc2
• Title of publication: 4-Chloro-1-naphthol
• Authors of publication: Rozycka-Sokolowska, Ewa; Marciniak, Bernard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o207 - o210
• a: 11.7106 ± 0.0008 Å
• b: 16.9105 ± 0.0008 Å
• c: 4.1894 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 829.64 ± 0.09 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes