Information card for entry 2201988

Structure parameters

• Chemical name: N-(2-aminoethyl)-2-hydroxybenzamide picrate
• Formula: C15 H15 N5 O9
• Calculated formula: C15 H15 N5 O9
• SMILES: Oc1ccccc1C(=O)NCC[NH3+].[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: N—H···O hydrogen bonding in the adduct of <i>N</i>-(2-aminoethyl)-2-hydroxybenzamide with picric acid
• Authors of publication: Yu, Qing; Tang, Yu; Feng, Yan-Hua; Tan, Min-Yu; Yu, Kai-Bei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o577 - o578
• a: 12.761 ± 0.003 Å
• b: 8.005 ± 0.002 Å
• c: 17.744 ± 0.006 Å
• α: 90°
• β: 98.84 ± 0.03°
• γ: 90°
• Cell volume: 1791.1 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No