Information card for entry 7156920

Structure parameters

• Chemical name: Ethyl 2-amino-5-isobutyl-1H-imidazole-4-carboxylate
• Formula: C10 H17 N3 O2
• Calculated formula: C10 H17 N3 O2
• Title of publication: Thermal and photochemical annulation of vinyl azides to 2-aminoimidazoles.
• Authors of publication: Man, Lucas; Copley, Royston C. B.; Handlon, Anthony L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 6566 - 6569
• a: 9.7186 ± 0.0003 Å
• b: 11.7583 ± 0.0004 Å
• c: 20.8375 ± 0.0006 Å
• α: 90°
• β: 96.0696 ± 0.001°
• γ: 90°
• Cell volume: 2367.84 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No