Information card for entry 2208428

Structure parameters

• Common name: (E,E)-2,5-bis(1-naphthyliminomethyl)thiophene
• Chemical name: (E)-N-{(5-[(E)-1-naphthyliminomethyl]-2-thienylmethylene}naphthalen-1-amine dichloromethane hemisolvate
• Formula: C26.5 H19 Cl N2 S
• Calculated formula: C26.5 H19 Cl N2 S
• SMILES: s1c(/C=N/c2cccc3ccccc23)ccc1/C=N/c1cccc2ccccc12.C(Cl)Cl
• Title of publication: A naphthalene‒thiophene‒naphthalene diazomethine triad solvated with dichloromethane
• Authors of publication: Skene, W. G.; Dufresne, Stephane
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1116 - o1117
• a: 11.232 ± 0.0008 Å
• b: 5.8762 ± 0.0002 Å
• c: 16.7657 ± 0.0009 Å
• α: 90°
• β: 94.872 ± 0.004°
• γ: 90°
• Cell volume: 1102.56 ± 0.11 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No