Information card for entry 2003914

Structure parameters

• Formula: C19 H14 Cl N3 O2
• Calculated formula: C19 H14 Cl N3 O2
• SMILES: Clc1ccc(/C=c/2n3c(n(c2=O)CC)nc2c(c3=O)cccc2)cc1
• Title of publication: (<i>Z</i>)-1-Ethyl-3-(4-chlorobenzylidene)-1,2,3,5-tetrahydroimidazo[2,1-<i>b</i>]quinazoline-2,5-dione
• Authors of publication: Karolak-Wojciechowska, J.; Kiec-Kononowicz, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1833 - 1834
• a: 11.918 ± 0.004 Å
• b: 12.296 ± 0.003 Å
• c: 11.193 ± 0.005 Å
• α: 90°
• β: 90.65 ± 0.03°
• γ: 90°
• Cell volume: 1640.2 ± 1 ų
• Cell temperature: 293 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 significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 4.84
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No