Information card for entry 2227426

Structure parameters

• Chemical name: 6-(2-Chlorobenzyl)-1-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-1<i>H</i>- imidazo[1,2-<i>a</i>]pyrimidin-5-one
• Formula: C19 H15 Cl2 N3 O2
• Calculated formula: C19 H15 Cl2 N3 O2
• SMILES: N1(c2n(CC1)c(=O)c(c(n2)O)Cc1c(cccc1)Cl)c1ccc(cc1)Cl
• Title of publication: 6-(2-Chlorobenzyl)-1-(4-chlorophenyl)-7-hydroxy-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyrimidin-5-one
• Authors of publication: Wysocki, Waldemar; Matosiuk, Dariusz; Rzadkowska, Marzena; Karczmarzyk, Zbigniew; Urbańczyk-Lipkowska, Zofia; Kalicki, Przemysław
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2742 - o2743
• a: 11.4521 ± 0.0003 Å
• b: 12.8287 ± 0.0004 Å
• c: 11.7255 ± 0.0003 Å
• α: 90°
• β: 96.283 ± 0.002°
• γ: 90°
• Cell volume: 1712.31 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes