Information card for entry 2105609

Structure parameters

• Chemical name: 1-(4-Chlorophenyl)-4-(4-chlorophenylamino)-6-methyl-2-pyridone
• Formula: C18 H14 Cl2 N2 O
• Calculated formula: C18 H14 Cl2 N2 O
• SMILES: Clc1ccc(cc1)Nc1cc(C)n(c(=O)c1)c1ccc(cc1)Cl
• Title of publication: Intermolecular N-H···O Hydrogen Bonding Assisted by Resonance. II. Self Assembly of Hydrogen-Bonded Secondary Enaminones in Supramolecular Catemers
• Authors of publication: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 50 - 65
• a: 14.244 ± 0.002 Å
• b: 9.645 ± 0.001 Å
• c: 23.711 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3257.5 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No