Information card for entry 4505038

Structure parameters

• Common name: remacemide nitrate
• Chemical name: 2-Amino-N-(1-methyl-1,12-diphenylethyl)-acetamide nitrate
• Formula: C17 H21 N3 O4
• Calculated formula: C17 H21 N3 O4
• SMILES: O=C(NC(C)(c1ccccc1)Cc1ccccc1)C[NH3+].O=N(=O)[O-]
• Title of publication: Hydrophobic vs. Hydrophilic: Ionic Competition in Remacemide Salt Structures
• Authors of publication: Lewis, Gareth R.; Steele, Gerry; McBride, Lorraine; Florence, Alastair J.; Kennedy, Alan R.; Shankland, Norman; David, William I. F.; Shankland, Kenneth; Teat, Simon J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 427
• a: 11.724 ± 0.004 Å
• b: 8.932 ± 0.004 Å
• c: 15.872 ± 0.004 Å
• α: 90°
• β: 95.93 ± 0.02°
• γ: 90°
• Cell volume: 1653.2 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No