Information card for entry 2105750

Structure parameters

• Chemical name: (N-(2,6-dichlorophenyl)formamide).(N-(2,6-dimethylphenyl)formamide) 0.48:0.52
• Formula: C8.03 H8.1 Cl0.97 N O
• Calculated formula: C8.032 H8.096 Cl0.968 N O
• SMILES: O=CNc1c(C)cccc1C.O=CNc1c(Cl)cccc1Cl
• Title of publication: Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides
• Authors of publication: Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 106 - 114
• a: 8.5073 ± 0.0012 Å
• b: 13.093 ± 0.002 Å
• c: 14.448 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No