Information card for entry 7154562

Structure parameters

• Common name: N-Methyl-N-(8-dimethylaminonaphth-1-yl)aminoacetic acid hydrobromide
• Formula: C15 H19 Br N2 O2
• Calculated formula: C15 H19 Br N2 O2
• SMILES: N(c1cccc2cccc([NH+](C)C)c12)(C)CC(=O)O.[Br-]
• Title of publication: The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.
• Authors of publication: Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 31
• Pages of publication: 8524 - 8532
• a: 7.4871 ± 0.0008 Å
• b: 12.1721 ± 0.0012 Å
• c: 16.4565 ± 0.0017 Å
• α: 90°
• β: 94.653 ± 0.002°
• γ: 90°
• Cell volume: 1494.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No