Information card for entry 2217891

Structure parameters

• Chemical name: 2-Benzyliminomethyl-4-chlorophenol
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1ccc(O)c(/C=N/Cc2ccccc2)c1
• Title of publication: 2-Benzyliminomethyl-4-chlorophenol
• Authors of publication: Zhang, Xinli; Li, Zongxiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o726
• a: 14.3693 ± 0.0018 Å
• b: 6.0401 ± 0.0008 Å
• c: 14.777 ± 0.002 Å
• α: 90°
• β: 103.911 ± 0.002°
• γ: 90°
• Cell volume: 1244.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1394
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes