Information card for entry 2232200

Structure parameters

• Chemical name: <i>N</i>'-[(1<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4- <i>tert</i>-butylbenzohydrazide ethanol monosolvate
• Formula: C20 H24 Br Cl N2 O3
• Calculated formula: C20 H24 Br Cl N2 O3
• SMILES: Brc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1ccc(cc1)C(C)(C)C.OCC
• Title of publication: <i>N</i>'-[(1<i>E</i>)-3-Bromo-5-chloro-2-hydroxybenzylidene]-4-<i>tert</i>-butylbenzohydrazide ethanol monosolvate
• Authors of publication: Thirugnanasundar, A.; Parthipan, K.; Anthonisamy, V. S. Xavier; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2857
• a: 9.2478 ± 0.0004 Å
• b: 9.4057 ± 0.0004 Å
• c: 12.7838 ± 0.0005 Å
• α: 78.811 ± 0.002°
• β: 79.235 ± 0.001°
• γ: 79.469 ± 0.002°
• Cell volume: 1059.17 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes