Information card for entry 2222679

Structure parameters

• Chemical name: 2-Bromo-N'-[(Z)-2-bromobenzylidene]-5-methoxybenzohydrazide
• Formula: C15 H12 Br2 N2 O2
• Calculated formula: C15 H12 Br2 N2 O2
• SMILES: c1(c(cc(cc1)OC)C(=O)N/N=C/c1c(cccc1)Br)Br
• Title of publication: 2-Bromo-<i>N</i>'-[(<i>Z</i>)-2-bromobenzylidene]-5-methoxybenzohydrazide
• Authors of publication: Li, Hongqi; Sarojini, B. K.; Narayana, B.; Yathirajan, H. S.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1750
• a: 14.768 ± 0.005 Å
• b: 12.753 ± 0.004 Å
• c: 8.227 ± 0.003 Å
• α: 90°
• β: 96.114 ± 0.004°
• γ: 90°
• Cell volume: 1540.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1131
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes