Information card for entry 2230287

Structure parameters

• Chemical name: Ethyl 8-amino-6-bromoimidazo[1,2-<i>a</i>]pyridine-2-carboxylate
• Formula: C10 H10 Br N3 O2
• Calculated formula: C10 H10 Br N3 O2
• SMILES: CCOC(=O)c1cn2c(n1)c(N)cc(c2)Br
• Title of publication: Ethyl 8-amino-6-bromoimidazo[1,2-<i>a</i>]pyridine-2-carboxylate
• Authors of publication: Dahmani, Siham; Kandri Rodi, Youssef; Luis, Santiago V.; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1390
• a: 8.366 ± 0.002 Å
• b: 11.842 ± 0.003 Å
• c: 22.743 ± 0.005 Å
• α: 90°
• β: 98.328 ± 0.006°
• γ: 90°
• Cell volume: 2229.4 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes