Information card for entry 2220134

Structure parameters

• Chemical name: 4-Chloro-N-(3-phenylallylidene)aniline
• Formula: C15 H12 Cl N
• Calculated formula: C15 H12 Cl N
• SMILES: Clc1ccc(/N=C/C=C/c2ccccc2)cc1
• Title of publication: 4-Chloro-<i>N</i>-(3-phenylallylidene)aniline
• Authors of publication: Zhang, Bing-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2478
• a: 7.7333 ± 0.0007 Å
• b: 5.5957 ± 0.0005 Å
• c: 29.383 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0664
• 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