Information card for entry 2233085

Structure parameters

• Chemical name: (<i>Z</i>)-3-Chloro-<i>N</i>-[(<i>Z</i>)-3-(3-chloro-2-methylphenylimino)butan- 2-ylidene]-2-methylaniline
• Formula: C18 H18 Cl2 N2
• Calculated formula: C18 H18 Cl2 N2
• SMILES: CC(=N\c1cccc(c1C)Cl)/C(=N/c1cccc(c1C)Cl)C
• Title of publication: (<i>Z</i>)-3-Chloro-<i>N</i>-[(<i>Z</i>)-3-(3-chloro-2-methylphenylimino)butan-2-ylidene]-2-methylaniline
• Authors of publication: Yuan, Jianchao; Xu, Weibing; Mei, Tongjian; Liu, Yufeng; Wang, Xuehu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o62
• a: 8.032 ± 0.006 Å
• b: 7.372 ± 0.005 Å
• c: 14.475 ± 0.01 Å
• α: 90°
• β: 93.533 ± 0.007°
• γ: 90°
• Cell volume: 855.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes