Information card for entry 2008196

Structure parameters

• Chemical name: 2-[2-(dimethylamino)ethylaminomethyl]-4-chlorophenol
• Formula: C11 H17 Cl N2 O
• Calculated formula: C11 H17 Cl N2 O
• SMILES: CN(CCNCc1cc(Cl)ccc1O)C
• Title of publication: 4-Chloro-2-[2-(dimethylamino)ethylaminomethyl]phenol and 2-[2-(dimethylamino)ethylaminomethyl]-6-methoxyphenol
• Authors of publication: Lian Ee Khoo; Hong Juan Hu; Alan Hazell
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 245 - 248
• a: 21.935 ± 0.001 Å
• b: 11.4354 ± 0.0007 Å
• c: 9.9743 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2501.9 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes