Information card for entry 7037315

Structure parameters

• Common name: mbth2NH, (4-Me-NCSC4H3)2NH
• Chemical name: bis-(4-methylbenzothiazol-2-yl)-amine
• Formula: C17.75 H15 N3 S2
• Calculated formula: C17.75 H15 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: 8.317 ± 0.002 Å
• b: 12.009 ± 0.003 Å
• c: 16.306 ± 0.004 Å
• α: 85.55 ± 0.02°
• β: 75.83 ± 0.02°
• γ: 89.23 ± 0.03°
• Cell volume: 1574.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No