Information card for entry 2233930

Structure parameters

• Chemical name: 1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine
• Formula: C7 H6 Cl N3 S
• Calculated formula: C7 H6 Cl N3 S
• SMILES: Clc1ccc2nc(sc2c1)NN
• Title of publication: 1-(6-Chloro-1,3-benzothiazol-2-yl)hydrazine
• Authors of publication: Fun, Hoong-Kun; Ooi, Chin Wei; Sarojini, B. K.; Mohan, B. J.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o691 - o692
• a: 13.0225 ± 0.0013 Å
• b: 5.7767 ± 0.0006 Å
• c: 21.708 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1633 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes