Information card for entry 2235479

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate
• Formula: C16 H13 Br N2 O3
• Calculated formula: C16 H13 Br N2 O3
• SMILES: Brc1ccc(/C=N/NC(=O)c2oc3c(c2)cccc3)cc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-1-benzofuran-2-carbohydrazide monohydrate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Nitinchandra; Kalluraya, Balakrishna; Babu, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2121
• a: 25.0594 ± 0.0004 Å
• b: 4.6718 ± 0.0001 Å
• c: 12.6166 ± 0.0002 Å
• α: 90°
• β: 99.175 ± 0.001°
• γ: 90°
• Cell volume: 1458.16 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes