Information card for entry 2202823

Structure parameters

• Chemical name: 2-chloro-6-methyl-8,9-diphenylimidazo[1,2-c]quinazoline
• Formula: C23 H16 Cl N3
• Calculated formula: C23 H16 Cl N3
• SMILES: Clc1ccc2nc(n3c(nc(c3c3ccccc3)c3ccccc3)c2c1)C
• Title of publication: 2-Chloro-6-methyl-8,9-diphenylimidazo[1,2-<i>c</i>]quinazoline
• Authors of publication: Daqing Shi; Juxian Wang; Chunling Shi; Liangce Rong; Xiangshan Wang; Hongwen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1594 - o1595
• a: 7.789 ± 0.001 Å
• b: 17.777 ± 0.002 Å
• c: 26.04 ± 0.003 Å
• α: 90°
• β: 94.7 ± 0.01°
• γ: 90°
• Cell volume: 3593.5 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes