Information card for entry 2233743

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline
• Formula: C17 H15 N S
• Calculated formula: C17 H15 N S
• SMILES: s1c2c(c(/C=N/c3c(cccc3C)C)c1)cccc2
• Title of publication: (<i>E</i>)-<i>N</i>-(1-Benzothiophen-3-ylmethylidene)-2,6-dimethylaniline
• Authors of publication: Kahveci Yağcı, Nermin; Dege, Necmi; Gümüş, Sümeyye; Ağar, Erbil; Soylu, Mustafa Serkan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o623 - o624
• a: 8.0446 ± 0.001 Å
• b: 8.8031 ± 0.0009 Å
• c: 10.2809 ± 0.001 Å
• α: 90°
• β: 98.989 ± 0.011°
• γ: 90°
• Cell volume: 719.12 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes