Information card for entry 2006088

Structure parameters

• Chemical name: N-(2'-Dimethylaminoethyl)-2-hydroxy-5-nitrobenzylamine
• Formula: C11 H17 N3 O3
• Calculated formula: C11 H17 N3 O3
• Title of publication: 2-[2-(Dimethylamino)ethylammoniomethyl]-4-nitrophenolate
• Authors of publication: Hazell, Alan; Overgaard, Jacob; Lausen, Søren Konstmann; Hu, Hongjuan; Khoo, Lian Ee
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 640 - 641
• a: 19.818 ± 0.004 Å
• b: 6.676 ± 0.002 Å
• c: 20.035 ± 0.004 Å
• α: 90°
• β: 109.044 ± 0.011°
• γ: 90°
• Cell volume: 2505.7 ± 1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 1.28
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No