Information card for entry 1551781

Structure parameters

• Formula: C12 H17 Cl2 N O3
• Calculated formula: C12 H17 Cl2 N O3
• SMILES: Clc1ccc(OCC(=O)OCC[NH+](C)C)cc1.[Cl-]
• Title of publication: Crystal Structure of Meclofenoxate Hydrochloride
• Authors of publication: KAWAMURA, Tomoko; HIRAYAMA, Noriaki
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 23
• a: 7.1485 ± 0.0008 Å
• b: 13.919 ± 0.002 Å
• c: 15.156 ± 0.002 Å
• α: 100.28 ± 0.007°
• β: 101.783 ± 0.007°
• γ: 96.176 ± 0.007°
• Cell volume: 1436.2 ± 0.3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No