Information card for entry 2007571

Structure parameters

• Chemical name: 3-[[(2-Aminoethyl)imino]methyl]-4-hydroxybenzoic acid 0.28 hydrate
• Formula: C10 H12.56 N2 O3.28
• Calculated formula: C10 H12 N2 O3.277
• Title of publication: 3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic Acid 0.28-Hydrate
• Authors of publication: Whitener, Mark A.; de Freitas, Cyrene Bolt; Zavaleta, Andres
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1119 - 1121
• a: 11.675 ± 0.001 Å
• b: 14.738 ± 0.002 Å
• c: 6.261 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1077.3 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.104
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No