Information card for entry 2211668

Structure parameters

• Chemical name: 2-[1-(2-Hydroxypropyliminio)ethyl]-5-methoxyphenolate
• Formula: C12 H17 N O3
• Calculated formula: C12 H17 N O3
• Title of publication: 2-[1-(2-Hydroxypropyliminio)ethyl]-5-methoxyphenolate
• Authors of publication: Zhang, Zhen-Ming; Li, Shu-An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5916 - o5917
• a: 5.714 ± 0.002 Å
• b: 9.672 ± 0.004 Å
• c: 10.869 ± 0.003 Å
• α: 98.19 ± 0.02°
• β: 96.71 ± 0.02°
• γ: 93.35 ± 0.03°
• Cell volume: 588.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes