Information card for entry 2235100

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Ethoxybenzylidene)-4-hydroxybenzohydrazide dihydrate
• Formula: C16 H20 N2 O5
• Calculated formula: C16 H20 N2 O5
• SMILES: O=C(N/N=C/c1ccc(OCC)cc1)c1ccc(O)cc1.O.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Ethoxybenzylidene)-4-hydroxybenzohydrazide dihydrate
• Authors of publication: Fun, Hoong-Kun; Horkaew, Jirapa; Chantrapromma, Suchada; Karalai, Chatchanok
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1655 - o1656
• a: 7.1655 ± 0.0001 Å
• b: 17.3895 ± 0.0003 Å
• c: 13.6202 ± 0.0002 Å
• α: 90°
• β: 110.875 ± 0.001°
• γ: 90°
• Cell volume: 1585.74 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes