Information card for entry 4507842

Structure parameters

• Formula: C16 H24 N2 O5
• Calculated formula: C16 H24 N2 O5
• SMILES: [O-]C(=O)C(=O)O.O=C(Nc1c(cccc1C)C)C[NH+](CC)CC
• Title of publication: Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study
• Authors of publication: Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2564 - 2572
• a: 10.5817 ± 0.0008 Å
• b: 10.3447 ± 0.0005 Å
• c: 15.3496 ± 0.0011 Å
• α: 90°
• β: 102.719 ± 0.007°
• γ: 90°
• Cell volume: 1639.01 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No