Information card for entry 2018692

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(4-Bromobenzylidene)-4-hydroxybenzohydrazide
• Formula: C14 H11 Br N2 O2
• Calculated formula: C14 H11 Br N2 O2
• SMILES: Brc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-, (<i>E</i>)-<i>N</i>'-(4-bromobenzylidene)- and (<i>E</i>)-<i>N</i>'-[4-(diethylamino)benzylidene]- derivatives of 4-hydroxybenzohydrazide
• Authors of publication: Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o408 - o412
• a: 7.6046 ± 0.0007 Å
• b: 24.225 ± 0.0018 Å
• c: 7.923 ± 0.0007 Å
• α: 90°
• β: 118.673 ± 0.009°
• γ: 90°
• Cell volume: 1280.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes