Information card for entry 7160519

Structure parameters

• Chemical name: phenyl(4-phenylbenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)methanonee
• Formula: C23 H15 N3 O
• Calculated formula: C23 H15 N3 O
• Title of publication: I₂-DMSO-mediated [4 + 2] cyclization of methyl ketone with 2-aminobenzimidazole to construct 2,4-disubstituted benzo[4,5]imidazo[1,2-<i>a</i>] pyrimidines.
• Authors of publication: Guo, Qian; Guo, Mengyi; Cheng, Luoteng; Song, Yifan; Ma, Wanqian; Song, Yibo; Li, Suzhen; Deng, Xiaoqiong; Jia, Xinxin; Yuan, Jianyong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5154 - 5158
• a: 7.6699 ± 0.0001 Å
• b: 17.982 ± 0.0002 Å
• c: 12.1583 ± 0.0001 Å
• α: 90°
• β: 93.293 ± 0.001°
• γ: 90°
• Cell volume: 1674.11 ± 0.03 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0356
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No