Information card for entry 2230662

Structure parameters

• Chemical name: 2-Hydrazinyl-4-methyl-1,3-benzothiazole
• Formula: C8 H9 N3 S
• Calculated formula: C8 H9 N3 S
• SMILES: s1c(nc2c(cccc12)C)NN
• Title of publication: 2-Hydrazinyl-4-methyl-1,3-benzothiazole
• Authors of publication: Liu, Xu-Feng; Yu, Xiao-Yong; Jiang, Shao-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1641
• a: 3.893 ± 0.002 Å
• b: 7.312 ± 0.004 Å
• c: 14.137 ± 0.008 Å
• α: 90°
• β: 93.416 ± 0.013°
• γ: 90°
• Cell volume: 401.7 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0321
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes