Information card for entry 7158290

Structure parameters

• Common name: 4-(2-methylbenzyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one
• Formula: C18 H17 N3 O
• Calculated formula: C18 H17 N3 O
• SMILES: O=C1N(C2=NCCN2c2c1cccc2)Cc1ccccc1C
• Title of publication: Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.
• Authors of publication: Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 39
• Pages of publication: 8497 - 8501
• a: 7.6364 ± 0.0012 Å
• b: 24.214 ± 0.004 Å
• c: 8.2875 ± 0.0013 Å
• α: 90°
• β: 108.818 ± 0.007°
• γ: 90°
• Cell volume: 1450.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.113
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No