Information card for entry 1551646

Structure parameters

• Formula: C22 H20 N2 O2
• Calculated formula: C22 H20 N2 O2
• SMILES: C\1(=C/C=C\2c3ccccc3N(C2=O)CC)C(=O)N(c2ccccc12)CC
• Title of publication: Crystal Structure of 3,3&prime;-Ethanediylidenebis(1-ethylindoline-2-one): An Unexpected Byproduct in <i>N</i>-Ethylation of Isatin in Tetrahydrofurane
• Authors of publication: AKITA, Motoko; KASONO, Masaki; KOBAYASHI, Keiji
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2015
• Journal volume: 31
• Journal issue: 0
• Pages of publication: 11
• a: 8.7451 ± 0.0009 Å
• b: 15.1964 ± 0.0013 Å
• c: 6.9425 ± 0.0006 Å
• α: 90°
• β: 113.561 ± 0.002°
• γ: 90°
• Cell volume: 845.7 ± 0.14 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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 significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No