Information card for entry 4510093

Structure parameters

• Common name: IMAZAMOX
• Formula: C15 H19 N3 O4
• Calculated formula: C15 H19 N3 O4
• SMILES: C(C)([C@]1(N=C(NC1=O)c1ncc(cc1C(=O)O)COC)C)C
• Title of publication: Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide
• Authors of publication: Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1430
• a: 6.1344 ± 0.0004 Å
• b: 12.3989 ± 0.0004 Å
• c: 19.8456 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1509.45 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No