Information card for entry 7155573

Structure parameters

• Formula: C20 H16 N2
• Calculated formula: C20 H16 N2
• SMILES: n1c(c(n2ccccc12)c1ccc(cc1)C)c1ccccc1
• Title of publication: Regiocontrolled functionalization of 2,3-dihalogenoimidazo[1,2-a]pyridines by Suzuki-Miyaura and Sonogashira cross-coupling reactions
• Authors of publication: Delaye, Pierre-Olivier; Pénichon, Mélanie; Allouchi, Hassan; Enguehard-Gueiffier, Cecile; Gueiffier, Alain
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 7.0562 ± 0.0013 Å
• b: 9.0008 ± 0.0013 Å
• c: 12.13 ± 0.002 Å
• α: 90.532 ± 0.013°
• β: 92.165 ± 0.015°
• γ: 100.461 ± 0.014°
• Cell volume: 756.9 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No