Information card for entry 2214954

Structure parameters

• Chemical name: 2-Bromo-N'-[(E)-4-hydroxybenzylidene]-5-methoxybenzohydrazide
• Formula: C15 H13 Br N2 O3
• Calculated formula: C15 H13 Br N2 O3
• SMILES: Brc1c(C(=O)N/N=C/c2ccc(O)cc2)cc(cc1)OC
• Title of publication: 2-Bromo-<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]-5-methoxybenzohydrazide
• Authors of publication: Sarojini, B. K.; Narayana, B.; Sunil, K.; Yathirajan, H. S.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3862 - o3863
• a: 9.4902 ± 0.0006 Å
• b: 10.9347 ± 0.0008 Å
• c: 14.8687 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542.96 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes