Information card for entry 8102271

Structure parameters

• Formula: C16 H20 N2 O7
• Calculated formula: C16 H20 N2 O7
• SMILES: N(=C\c1c(O)c(OC)ccc1)/NC(=O)c1cc(O)cc(O)c1.O.OC
• Title of publication: Crystal structure of 3,5-dihydroxybenzoic acid [1-(2-hydroxy-3-methoxyphenyl)methylidene]hydrazide - methanol - water (1:1:1), (C15H14N2O) · CH3OH · H2O
• Authors of publication: Shan-Shan Huang; Yun-Peng Diao; Ting-Guo Kang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 2
• Pages of publication: 167
• a: 8.023 ± 0.0016 Å
• b: 9.714 ± 0.0019 Å
• c: 11.583 ± 0.002 Å
• α: 94.82 ± 0.03°
• β: 99.36 ± 0.03°
• γ: 107.13 ± 0.03°
• Cell volume: 842.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No