Information card for entry 2312742

Structure parameters

• Chemical name: 2-[(Naphthalen-2-ylmethyl)azaniumyl]-3-phenylpropanoate
• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• SMILES: [O-]C(=O)C([NH2+]Cc1ccc2c(c1)cccc2)Cc1ccccc1
• Title of publication: Conformational versatility among crystalline solids of L-phenylalanine derivatives.
• Authors of publication: Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 2
• a: 5.62 ± 0.003 Å
• b: 8.62 ± 0.003 Å
• c: 16.07 ± 0.005 Å
• α: 91.113 ± 0.009°
• β: 91.423 ± 0.009°
• γ: 96.92 ± 0.02°
• Cell volume: 772.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0478
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.67019 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes