Information card for entry 2312458

Structure parameters

• Chemical name: 1-Propyl-3-(1-propyl-1,2-dihydro-2-oxo-3<i>H</i>-indol-3-ylidene)-1,3-dihydro-2<i>H</i>-indol-2-one
• Formula: C22 H22 N2 O2
• Calculated formula: C22 H22 N2 O2
• Title of publication: Three polymorphs of a new N,N'-dipropylated isoindigo derivative.
• Authors of publication: Jozuka, Wataru; Kim, Sung Hoon; Matsumoto, Shinya
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 4
• a: 12.8456 ± 0.0002 Å
• b: 5.5803 ± 0.0001 Å
• c: 16.7446 ± 0.0003 Å
• α: 90°
• β: 132.566 ± 0.001°
• γ: 90°
• Cell volume: 884.01 ± 0.03 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes