Information card for entry 2238677

Structure parameters

• Chemical name: 1-(4-{[(1,3,3-Trimethylindolin-2-ylidene)methyl]diazenyl}phenyl)ethanone
• Formula: C20 H21 N3 O
• Calculated formula: C20 H21 N3 O
• SMILES: CC(=O)c1ccc(cc1)/N=N/C=C1/N(C)c2c(C1(C)C)cccc2
• Title of publication: 1-(4-{[(1,3,3-Trimethylindolin-2-ylidene)methyl]diazenyl}phenyl)ethanone
• Authors of publication: Gainsford, Graeme J.; Ashraf, Mohamed; Bhuiyan, M. Delower H.; Kay, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1499
• a: 14.8688 ± 0.0002 Å
• b: 6.895 ± 0.00012 Å
• c: 16.3546 ± 0.0003 Å
• α: 90°
• β: 99.5834 ± 0.0016°
• γ: 90°
• Cell volume: 1653.28 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No