Information card for entry 2225534

Structure parameters

• Chemical name: <i>N</i>,<i>N'</i>-Bis(2-aminophenyl)-3,4-diphenylthiophene-2,5-dicarboxamide acetonitrile solvate
• Formula: C32 H27 N5 O2 S
• Calculated formula: C32 H27 N5 O2 S
• SMILES: s1c(c(c(c1C(=O)Nc1c(N)cccc1)c1ccccc1)c1ccccc1)C(=O)Nc1c(N)cccc1.N#CC
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-aminophenyl)-3,4-diphenylthiophene-2,5-dicarboxamide acetonitrile solvate
• Authors of publication: Askerov, Rizvan K.; Roznyatovsky, Vladimir V.; Katayev, Evgeny A.; Maharramov, Abel M.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o793
• a: 9.0314 ± 0.0009 Å
• b: 11.547 ± 0.0011 Å
• c: 13.014 ± 0.0012 Å
• α: 93.206 ± 0.002°
• β: 92.504 ± 0.002°
• γ: 90.017 ± 0.002°
• Cell volume: 1353.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes