Information card for entry 2211364

Structure parameters

• Chemical name: 2-Hydroxy-N'-[(1E)-1-(2-hydroxy-5-methylphenyl)-2- phenylethylidene]benzohydrazide
• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• SMILES: N(=C(/c1c(O)ccc(c1)C)Cc1ccccc1)\NC(=O)c1c(O)cccc1
• Title of publication: 2-Hydroxy-<i>N</i>'-[(1<i>E</i>)-1-(2-hydroxy-5-methylphenyl)-2-phenylethylidene]benzohydrazide
• Authors of publication: Guo-Fang He; Jian-Min Dou; Jian-Guo Chang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5527 - o5528
• a: 6.7401 ± 0.0011 Å
• b: 10.4033 ± 0.0017 Å
• c: 14.065 ± 0.002 Å
• α: 79.475 ± 0.006°
• β: 80.193 ± 0.006°
• γ: 78.639 ± 0.006°
• Cell volume: 941.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes