Information card for entry 2235549

Structure parameters

• Chemical name: (1<i>Z</i>)-1-[(2<i>E</i>)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1- ylidene]-2-(2,4-dinitrophenyl)hydrazine
• Formula: C21 H14 Br F N4 O4
• Calculated formula: C21 H14 Br F N4 O4
• SMILES: Brc1ccc(cc1)/C=C/C(=N/Nc1ccc(N(=O)=O)cc1N(=O)=O)c1ccc(F)cc1
• Title of publication: (1<i>Z</i>)-1-[(2<i>E</i>)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-ylidene]-2-(2,4-dinitrophenyl)hydrazine
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Sapnakumari, M.; Sarojini, B. K.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2193
• a: 15.0738 ± 0.0012 Å
• b: 10.6511 ± 0.0005 Å
• c: 14.3353 ± 0.0008 Å
• α: 90°
• β: 116.01 ± 0.009°
• γ: 90°
• Cell volume: 2068.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes