Information card for entry 2205258

Structure parameters

• Common name: mepivacaine hydrochloride
• Chemical name: (2R)-2-(2,6-dimethylphenylaminocarbonyl)-1-methylpiperidinium chloride
• Formula: C15 H23 Cl N2 O
• Calculated formula: C15 H23 Cl N2 O
• SMILES: [Cl-].[NH+]1(C)[C@H](CCCC1)C(=O)Nc1c(cccc1C)C
• Title of publication: (<i>R</i>)-(‒)-Mepivacaine hydrochloride enantiomer: a low-temperature study
• Authors of publication: Bambagiotti Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o585 - o586
• a: 9.7378 ± 0.001 Å
• b: 10.579 ± 0.0009 Å
• c: 15.2761 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes