Information card for entry 2231128

Structure parameters

• Chemical name: (<i>E</i>)-4-Chloro-<i>N</i>-(2,4,6-trimethylbenzylidene)aniline
• Formula: C16 H16 Cl N
• Calculated formula: C16 H16 Cl N
• SMILES: c1(cc(cc(c1/C=N/c1ccc(cc1)Cl)C)C)C
• Title of publication: (<i>E</i>)-4-Chloro-<i>N</i>-(2,4,6-trimethylbenzylidene)aniline
• Authors of publication: Guo, Ying; Pan, Meng-Xin; Xiang, Hai; Liu, Wen-Hong; Song, Zhong-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1999
• a: 7.198 ± 0.002 Å
• b: 12.398 ± 0.004 Å
• c: 15.865 ± 0.005 Å
• α: 90°
• β: 102.296 ± 0.004°
• γ: 90°
• Cell volume: 1383.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes