Information card for entry 1544398

Structure parameters

• Chemical name: (<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline
• Formula: C24 H23 N3 S
• Calculated formula: C24 H23 N3 S
• SMILES: s1c2ccccc2nc1c1ccc(/N=C/c2ccc(N(CC)CC)cc2)cc1
• Title of publication: (<i>E</i>)-4-({[4-(Benzo[<i>d</i>]thiazol-2-yl)phenyl]imino}methyl)-<i>N</i>,<i>N</i>-diethylaniline
• Authors of publication: Yao, Shun; Zhang, Xin
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161621
• a: 8.895 ± 0.005 Å
• b: 7.648 ± 0.005 Å
• c: 15.091 ± 0.005 Å
• α: 90°
• β: 98.566 ± 0.005°
• γ: 90°
• Cell volume: 1015.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0558
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes