Information card for entry 2227506

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-[(<i>E</i>)-(3,4-dimethoxyphenyl)methylidene]aniline
• Formula: C15 H14 Cl N O2
• Calculated formula: C15 H14 Cl N O2
• SMILES: COc1cc(/C=N/c2ccc(cc2)Cl)ccc1OC
• Title of publication: 4-Chloro-<i>N</i>-[(<i>E</i>)-(3,4-dimethoxyphenyl)methylidene]aniline
• Authors of publication: Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Sarfraz, Muhammad; Ahmad, Shahbaz; Tariq, Riaz H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2355
• a: 12.4227 ± 0.0004 Å
• b: 7.3638 ± 0.0002 Å
• c: 30.4583 ± 0.0013 Å
• α: 90°
• β: 96.08 ± 0.002°
• γ: 90°
• Cell volume: 2770.6 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes