Information card for entry 4515838

Structure parameters

• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O(c1ccc(c2nc3n(ccc(c3)C)c2)cc1)C
• Title of publication: Efficient Access to Imidazo[1,2- a]pyridines/pyrazines/pyrimidines via Catalyst-Free Annulation Reaction under Microwave Irradiation in Green Solvent.
• Authors of publication: Rao, R. Nishanth; Mm, Balamurali; Maiti, Barnali; Thakuria, Ranjit; Chanda, Kaushik
• Journal of publication: ACS combinatorial science
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 3
• Pages of publication: 164 - 171
• a: 15.722 ± 0.002 Å
• b: 5.7944 ± 0.0007 Å
• c: 13.6813 ± 0.0017 Å
• α: 90°
• β: 100.711 ± 0.005°
• γ: 90°
• Cell volume: 1224.6 ± 0.3 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: 0.0971
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No