Information card for entry 2213658

Structure parameters

• Chemical name: 2-Bromo-N'-[(1E)-(4-fluorophenyl)methylene]-5-methoxybenzohydrazide monohydrate
• Formula: C15 H14 Br F N2 O3
• Calculated formula: C15 H14 Br F N2 O3
• SMILES: Brc1c(C(=O)N/N=C/c2ccc(F)cc2)cc(OC)cc1.O
• Title of publication: 2-Bromo-<i>N</i>'-[(<i>E</i>)-(4-fluorophenyl)methylene]-5-methoxybenzohydrazide monohydrate
• Authors of publication: Narayana, B.; Sunil, K.; Yathirajan, H.S.; Sarojini, B.K.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2948 - o2948
• a: 30.1171 ± 0.0018 Å
• b: 8.0187 ± 0.0007 Å
• c: 13.4661 ± 0.0008 Å
• α: 90°
• β: 111.902 ± 0.004°
• γ: 90°
• Cell volume: 3017.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes