Information card for entry 7226344

Structure parameters

• Formula: C20 H15 N3 O3
• Calculated formula: C20 H15 N3 O3
• SMILES: O(c1ccc(c2c(n3c(n2)cccc3)c2ccc(N(=O)=O)cc2)cc1)C
• Title of publication: One-step Synthesis of Imidazo[1,2-a]pyridines in Water
• Authors of publication: Zali Boeini, Hassan; Norastehfar, Niloofar; Amiri Rudbari, Hadi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.9694 ± 0.0014 Å
• b: 8.0346 ± 0.0016 Å
• c: 15.19 ± 0.003 Å
• α: 84.71 ± 0.03°
• β: 77.42 ± 0.03°
• γ: 87.21 ± 0.03°
• Cell volume: 826.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No