Information card for entry 2221810

Structure parameters

• Chemical name: 4-Chloro-2-[(<i>E</i>)-2-(4-methoxyphenyl)ethyliminomethyl]phenol
• Formula: C16 H16 Cl N O2
• Calculated formula: C16 H16 Cl N O2
• SMILES: Clc1ccc(O)c(c1)/C=N/CCc1ccc(OC)cc1
• Title of publication: 4-Chloro-2-[(<i>E</i>)-2-(4-methoxyphenyl)ethyliminomethyl]phenol
• Authors of publication: Yaeghoobi, Marzieh; Rahman, Noorsaadah Abdul; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1070
• a: 5.761 ± 0.0002 Å
• b: 7.7115 ± 0.0003 Å
• c: 15.7814 ± 0.0005 Å
• α: 82.42 ± 0.002°
• β: 89.32 ± 0.002°
• γ: 85.313 ± 0.002°
• Cell volume: 692.65 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes