Information card for entry 2226470

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-hydroxybenzohydrazide hemihydrate
• Formula: C16 H18 N3 O2.5
• Calculated formula: C16 H18 N3 O2.5
• SMILES: Oc1ccc(cc1)C(=O)N/N=C/c1ccc(cc1)N(C)C.O
• Title of publication: (<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-hydroxybenzohydrazide hemihydrate
• Authors of publication: Liu, Huanyu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1582
• a: 6.1514 ± 0.0009 Å
• b: 18.098 ± 0.003 Å
• c: 13.356 ± 0.002 Å
• α: 90°
• β: 95.489 ± 0.002°
• γ: 90°
• Cell volume: 1480.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes