Information card for entry 2232657

Structure parameters

• Chemical name: Isonicotinamide‒2-naphthoic acid (1/1)
• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: c1(ccncc1)C(=O)N.c1(ccc2ccccc2c1)C(=O)O
• Title of publication: Isonicotinamide‒2-naphthoic acid (1/1)
• Authors of publication: Madeley, Lee G.; Levendis, Demetrius C.; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3440
• a: 8.6665 ± 0.0017 Å
• b: 23.752 ± 0.005 Å
• c: 7.3793 ± 0.0015 Å
• α: 90°
• β: 110.33 ± 0.03°
• γ: 90°
• Cell volume: 1424.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes