Information card for entry 2206836

Structure parameters

• Chemical name: N'-[(E)-4-(2-Hydroxyethoxy)-3-methoxybenzylidene]benzohydrazide monohydrate
• Formula: C17 H20 N2 O5
• Calculated formula: C17 H20 N2 O5
• SMILES: OCCOc1c(OC)cc(cc1)/C=N/NC(=O)c1ccccc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-(2-Hydroxyethoxy)-3-methoxybenzylidene]benzohydrazide monohydrate
• Authors of publication: Chun-Hua Diao; Ming Yu; Xin Chen; Zuo-Liang Jing; Qi-Liang Deng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3500 - o3501
• a: 9.924 ± 0.002 Å
• b: 11.936 ± 0.003 Å
• c: 14.89 ± 0.004 Å
• α: 90°
• β: 104.003 ± 0.004°
• γ: 90°
• Cell volume: 1711.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0893
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes