Information card for entry 7037314

Structure parameters

• Common name: bth2NH
• Chemical name: (NCSC6H4)2NH
• Formula: C14 H9 N3 S2
• Calculated formula: C14 H9 N3 S2
• Title of publication: Bis-(benzothiazol-2-yl)-amines and their metal amides: a structural comparison in the solid state.
• Authors of publication: Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6136 - 6148
• a: 10.853 ± 0.003 Å
• b: 4.587 ± 0.002 Å
• c: 12.513 ± 0.004 Å
• α: 90°
• β: 93.9 ± 0.02°
• γ: 90°
• Cell volume: 621.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.032
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No