Information card for entry 2228977

Structure parameters

• Chemical name: (<i>Z</i>)-<i>N</i>-[5-Bromo-2-(4-methylanilino)-3<i>H</i>-indol-3- ylidene]-4-methylaniline oxide
• Formula: C22 H18 Br N3 O
• Calculated formula: C22 H18 Br N3 O
• SMILES: c1cc(C)ccc1Nc1c(c2cc(ccc2n1)Br)=N(c1ccc(C)cc1)=O
• Title of publication: (<i>Z</i>)-<i>N</i>-[5-Bromo-2-(4-methylanilino)-3<i>H</i>-indol-3-ylidene]-4-methylaniline oxide
• Authors of publication: Asgri, Davood; Ghanbari, Mohammad; Mehrdad, Morteza; Jadidi, Khosrow; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o350
• a: 7.8676 ± 0.0004 Å
• b: 8.9748 ± 0.0004 Å
• c: 14.1353 ± 0.0007 Å
• α: 83.09 ± 0.004°
• β: 74.363 ± 0.004°
• γ: 69.776 ± 0.004°
• Cell volume: 901.49 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes