Information card for entry 2214478

Structure parameters

• Chemical name: 2-[(4-Chlorophenyl)aminomethyl]-6-methoxyphenol
• Formula: C14 H14 Cl N O2
• Calculated formula: C14 H14 Cl N O2
• SMILES: Clc1ccc(NCc2c(O)c(OC)ccc2)cc1
• Title of publication: 2-[(4-Chlorophenyl)aminomethyl]-6-methoxyphenol
• Authors of publication: Liu, Y.-F.; Xia, H.-T.; Yang, S.-P.; Wang, D.-Q.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3561 - o3561
• a: 24.346 ± 0.002 Å
• b: 5.4437 ± 0.0012 Å
• c: 20.478 ± 0.002 Å
• α: 90°
• β: 109.496 ± 0.002°
• γ: 90°
• Cell volume: 2558.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes