Information card for entry 8107704

Structure parameters

• Formula: C24 H14 Cl0 N2 S
• Calculated formula: C24 H14 N2 S
• SMILES: C(=N\c1ccc2c3c1ccc1c3c(ccc1)cc2)/c1nc2ccccc2s1
• Title of publication: Crystal structure of (E)-1-(benzo[d]thiazol-2-yl)-N-(4,5-dihydropyren-2-yl)methanimine, C24H16N2S
• Authors of publication: Shen, Lingyi; Gong, Qianjin; Xu, Na; Xu, Xiaoling; Jiang, Mengna; Zhao, Jiang; Huang, Ya-Li; Wang, Zhi-Yong; Zhang, Qi-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1209 - 1210
• a: 18.443 ± 0.002 Å
• b: 4.0161 ± 0.0006 Å
• c: 23.396 ± 0.004 Å
• α: 90°
• β: 99.246 ± 0.006°
• γ: 90°
• Cell volume: 1710.4 ± 0.4 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No