Information card for entry 2013869

Structure parameters

• Chemical name: 3-Butyl-1-(5-nitrobenzo[c][1,2]thiazol-3-yl)-3-phenyltriazene
• Formula: C17 H17 N5 O2 S
• Calculated formula: C17 H17 N5 O2 S
• Title of publication: 3-Butyl-1-(5-nitrobenzo[<i>c</i>][1,2]thiazol-3-yl)-3-phenyltriazene
• Authors of publication: Viktor Kettmann; Jan Lokaj; Jozef Kožíšek; Josef Přikryl; Vladimír Macháček
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: o143 - o145
• a: 9.702 ± 0.005 Å
• b: 9.75 ± 0.005 Å
• c: 10.106 ± 0.006 Å
• α: 83.24 ± 0.05°
• β: 79.72 ± 0.04°
• γ: 72.92 ± 0.04°
• Cell volume: 897 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1631
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No