Information card for entry 4032006

Structure parameters

• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: O(c1ccc(c2n(c(nc2C(=O)c2ccccc2)c2ccccc2)C)cc1)C
• Title of publication: One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.
• Authors of publication: Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 13
• Pages of publication: 5606 - 5622
• a: 10.4681 ± 0.0004 Å
• b: 10.6574 ± 0.0005 Å
• c: 17.3657 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1937.36 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 297.99 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No