Information card for entry 2237133

Structure parameters

• Chemical name: 2,6-Dichloroaniline‒4-(2,6-dichloroanilino)pent-3-en-2-one (1/2)
• Formula: C28 H27 Cl6 N3 O2
• Calculated formula: C28 H27 Cl6 N3 O2
• SMILES: Clc1cccc(c1N)Cl.CC(=C/C(=O)C)/Nc1c(Cl)cccc1Cl.CC(=C/C(=O)C)/Nc1c(Cl)cccc1Cl
• Title of publication: 2,6-Dichloroaniline‒4-(2,6-dichloroanilino)pent-3-en-2-one (1/2)
• Authors of publication: Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o34 - o35
• a: 15.714 ± 0.0001 Å
• b: 8.721 ± 0.0002 Å
• c: 22.995 ± 0.0004 Å
• α: 90°
• β: 104.794 ± 0.001°
• γ: 90°
• Cell volume: 3046.81 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes