Information card for entry 2005576

Structure parameters

• Common name: 2-naphthoic acid
• Chemical name: naphthalene-2-carboxylic acid
• Formula: C11 H8 O2
• Calculated formula: C11 H9 O2
• SMILES: O=C(O)c1cc2ccccc2cc1
• Title of publication: 2-Naphthoic Acid at 153K
• Authors of publication: Blackburn, A. C.; Fitzgerald, L. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2862 - 2864
• a: 5.58 ± 0.001 Å
• b: 4.916 ± 0.001 Å
• c: 30.174 ± 0.002 Å
• α: 90°
• β: 91.74 ± 0.02°
• γ: 90°
• Cell volume: 827.3 ± 0.2 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No