Information card for entry 2237689

Structure parameters

• Chemical name: <i>N</i>-(7-Methyl-1,8-naphthyridin-2-yl)acetamide‒acetic acid (1/1)
• Formula: C13 H15 N3 O3
• Calculated formula: C13 H15 N3 O3
• SMILES: n1c2nc(ccc2ccc1NC(=O)C)C.OC(=O)C
• Title of publication: <i>N</i>-(7-Methyl-1,8-naphthyridin-2-yl)acetamide‒acetic acid (1/1)
• Authors of publication: Gou, Gao-Zhang; Ma, Rui; Zhou, Qing-Di; Chi, Shao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o489
• a: 8.3628 ± 0.0017 Å
• b: 9.0904 ± 0.0018 Å
• c: 9.5093 ± 0.0019 Å
• α: 71.3 ± 0.03°
• β: 76.43 ± 0.03°
• γ: 78.64 ± 0.03°
• Cell volume: 659.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes