Information card for entry 4500873

Structure parameters

• Formula: C23 H43 N3 O5
• Calculated formula: C23 H43 N3 O5
• SMILES: [O-]C(=O)[C@@H]1N([C@@H]2CCCC[C@@H]2C1)C(=O)[C@H](N[C@H](CCC)C(=O)OCC)C.[NH3+]C(C)(C)C
• Title of publication: First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β
• Authors of publication: André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3703
• a: 12.203 ± 0.005 Å
• b: 6.419 ± 0.003 Å
• c: 17.12 ± 0.007 Å
• α: 90°
• β: 97.065 ± 0.011°
• γ: 90°
• Cell volume: 1330.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.3277
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.2664
• Weighted residual factors for all reflections included in the refinement: 0.3283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No