Information card for entry 2220886

Structure parameters

• Chemical name: (<i>E</i>)-4-Chloro-<i>N</i>-[(<i>E</i>)-2-methyl-3-phenylallylidene]aniline
• Formula: C16 H14 Cl N
• Calculated formula: C16 H14 Cl N
• SMILES: N(=C\C(=C\c1ccccc1)\C)/c1ccc(Cl)cc1
• Title of publication: (<i>E</i>)-4-Chloro-<i>N</i>-[(<i>E</i>)-2-methyl-3-phenylallylidene]aniline
• Authors of publication: Khalaji, Aliakbar D.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o362
• a: 7.2486 ± 0.001 Å
• b: 11.6637 ± 0.0017 Å
• c: 15.598 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1318.7 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes