Information card for entry 2223294

Structure parameters

• Common name: <i>p</i>-chlorophenyl-bis(6-amino-1,3-dimethyluracil-5-yl)methane
• Chemical name: 6,6'-Diamino-1,1',3,3'-tetramethyl-5,5'-(4-chlorobenzylidene)bis[pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione]
• Formula: C19 H21 Cl N6 O4
• Calculated formula: C19 H21 Cl N6 O4
• SMILES: Clc1ccc(cc1)C(C1=C(N)N(C)C(=O)N(C1=O)C)C1=C(N)N(C)C(=O)N(C1=O)C
• Title of publication: 6,6'-Diamino-1,1',3,3'-tetramethyl-5,5'-(4-chlorobenzylidene)bis[pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]
• Authors of publication: Das, Subrata; Saikia, Binoy K.; Das, Babulal; Saikia, Lakhinath; Thakur, Ashim J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2416 - o2417
• a: 11.5365 ± 0.0003 Å
• b: 14.5935 ± 0.0004 Å
• c: 23.2102 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3907.62 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes