Information card for entry 2105811

Structure parameters

• Common name: loperamide hydrochloride anhydrate
• Chemical name: 4-(p-Chlorophenyl)-4-hydroxy-N,N-dimethyl-α,α-diphenyl-1-piperidinebutyramide hydrochloride
• Formula: C29 H34 Cl2 N2 O2
• Calculated formula: C29 H34 Cl2 N2 O2
• SMILES: [Cl-].C(C[NH+]1CCC(CC1)(O)c1ccc(cc1)Cl)C(C(=O)N(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions
• Authors of publication: Habermehl, Stefan; Mörschel, Philipp; Eisenbrandt, Pierre; Hammer, Sonja M.; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 347 - 359
• a: 16.70954 ± 0.00081 Å
• b: 12.37731 ± 0.00046 Å
• c: 13.21351 ± 0.00047 Å
• α: 90°
• β: 101.642 ± 0.0029°
• γ: 90°
• Cell volume: 2676.59 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 R(I) for significantly intense reflections: 0.03
• Goodness-of-fit parameter for all reflections: 2.254
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes