Information card for entry 1544692

Structure parameters

• Chemical name: 4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C15 H14 N2 S
• Calculated formula: C15 H14 N2 S
• SMILES: s1c2c(nc1c1ccc(N(C)C)cc1)cccc2
• Title of publication: 4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline
• Authors of publication: Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161847
• a: 11.0177 ± 0.0015 Å
• b: 7.8508 ± 0.0011 Å
• c: 29.691 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2568.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes