Information card for entry 2235740

Structure parameters

• Chemical name: (<i>E</i>)-4-Amino-<i>N</i>'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate
• Formula: C15 H17 N3 O4
• Calculated formula: C15 H17 N3 O4
• SMILES: O=C(N/N=C/c1c(O)ccc(OC)c1)c1ccc(N)cc1.O
• Title of publication: (<i>E</i>)-4-Amino-<i>N</i>'-(2-hydroxy-5-methoxybenzylidene)benzohydrazide monohydrate
• Authors of publication: Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2321 - o2322
• a: 4.7376 ± 0.0005 Å
• b: 13.27 ± 0.002 Å
• c: 11.7265 ± 0.0016 Å
• α: 90°
• β: 98.459 ± 0.004°
• γ: 90°
• Cell volume: 729.2 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes