Information card for entry 2004314

Structure parameters

• Chemical name: 2-[2-(3,4-dichlorophenyl)vinyl]benzothiazole
• Formula: C15 H9 Cl2 N S
• Calculated formula: C15 H9 Cl2 N S
• SMILES: Clc1ccc(cc1Cl)/C=C/c1nc2c(s1)cccc2
• Title of publication: 2-[2-(3,4-Dichlorophenyl)vinyl]benzo[<i>d</i>]thiazole
• Authors of publication: Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2700 - 2702
• a: 6.226 ± 0.0016 Å
• b: 14.3627 ± 0.0015 Å
• c: 14.551 ± 0.002 Å
• α: 90°
• β: 92.783 ± 0.017°
• γ: 90°
• Cell volume: 1299.6 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.26
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No