Information card for entry 2241347

Structure parameters

• Chemical name: 2-(4-Methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde
• Formula: C15 H11 N3 O4
• Calculated formula: C15 H11 N3 O4
• SMILES: c1c(ccc2n1c(C=O)c(c1ccc(cc1)OC)n2)N(=O)=O
• Title of publication: Crystal structure of 2-(4-methoxyphenyl)-6-nitroimidazo[1,2-<i>a</i>]pyridine-3-carbaldehyde
• Authors of publication: Koudad, Mohamed; Elaatiaoui, Abdelmalik; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o979 - o980
• a: 10.8516 ± 0.0006 Å
• b: 12.071 ± 0.0006 Å
• c: 10.2631 ± 0.0005 Å
• α: 90°
• β: 93.2 ± 0.002°
• γ: 90°
• Cell volume: 1342.26 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes