Information card for entry 7207691

Structure parameters

• Formula: C20 H18 N2 O3 S
• Calculated formula: C20 H18 N2 O3 S
• SMILES: S=C1N2CCNC2=C([C@@H]([C@H]1C(=O)c1ccccc1)c1occc1)C(=O)C.S=C1N2CCNC2=C([C@H]([C@@H]1C(=O)c1ccccc1)c1occc1)C(=O)C
• Title of publication: Solvent-free and efficient synthesis of imidazo[1,2-a]pyridine derivatives via a one-pot three-component reaction
• Authors of publication: Wen, Li-Rong; Li, Zhao-Rui; Li, Ming; Cao, Han
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 707
• a: 8.096 ± 0.003 Å
• b: 8.432 ± 0.003 Å
• c: 14.387 ± 0.006 Å
• α: 85.32 ± 0.018°
• β: 88.539 ± 0.019°
• γ: 62.728 ± 0.01°
• Cell volume: 870 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No