Information card for entry 2010169

Structure parameters

• Common name: p-chlorophenylamidopentanoic acid
• Formula: C12 H14 Cl N O3
• Calculated formula: C12 H13 Cl N O3
• SMILES: Clc1ccc(NC(=O)CCCCC(=O)O)cc1
• Title of publication: The Molecular Structure of Caroxazone, a Reversible Monoamine Oxidase Inhibitor
• Authors of publication: Wouters, Johan; Evrard, Guy; Durant, Francois
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Pages of publication: 1774 - 1777
• a: 4.863 ± 0.005 Å
• b: 9.963 ± 0.003 Å
• c: 14.024 ± 0.003 Å
• α: 69.99 ± 0.02°
• β: 76.7 ± 0.04°
• γ: 80.28 ± 0.04°
• Cell volume: 618.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0432
• Weighted residual factors for significantly intense reflections: 0.136
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No