Information card for entry 2204555

Structure parameters

• Chemical name: 9-Chloro-2,3-diphenyl-5,6-dihydroimidazo[1,2-c]quinazolin-5-one N,N-dimethylformamide solvate
• Formula: C25 H21 Cl N4 O2
• Calculated formula: C25 H21 Cl N4 O2
• SMILES: Clc1ccc2NC(=O)n3c(nc(c3c3ccccc3)c3ccccc3)c2c1.O=CN(C)C
• Title of publication: 9-Chloro-2,3-diphenyl-5,6-dihydroimidazo[1,2-<i>c</i>]quinazolin-5-one <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Da-Qing Shi; Zheng-Yi Li; Chun-Ling Shi; Qi-Ya Zhuang; Xiang-Shan Wang; Yong Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2032 - o2034
• a: 8.9157 ± 0.001 Å
• b: 11.256 ± 0.0013 Å
• c: 21.496 ± 0.003 Å
• α: 90°
• β: 97.37 ± 0.003°
• γ: 90°
• Cell volume: 2139.4 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes