Information card for entry 2237284

Structure parameters

• Common name: Aminoanthrachinone-Tetracyanchinodimethane
• Chemical name: 1-Aminoanthraquinone‒2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile (1/1)
• Formula: C26 H13 N5 O2
• Calculated formula: C26 H13 N5 O2
• SMILES: Nc1cccc2c1C(=O)c1ccccc1C2=O.N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N
• Title of publication: The charge-transfer complex 1-aminoanthraquinone‒7,7',8,8'-tetracyanoquinodimethane (1/1)
• Authors of publication: de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Santos, Jaciara Nascimento; Feitosa, Bárbara Regina Santos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o301
• a: 7.4916 ± 0.0002 Å
• b: 9.4321 ± 0.0003 Å
• c: 28.8093 ± 0.0008 Å
• α: 90°
• β: 95.8785 ± 0.0015°
• γ: 90°
• Cell volume: 2025 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1063
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes