Information card for entry 2004705

Structure parameters

• Formula: C7 H5 N3 O2 S
• Calculated formula: C7 H5 N3 O2 S
• Title of publication: 2-Amino-4-nitrobenzothiazole
• Authors of publication: Lokaj, J.; Vrábel, V.; Ilavský, D.; Bartovič, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1040 - 1042
• a: 10.622 ± 0.003 Å
• b: 5.459 ± 0.002 Å
• c: 13.708 ± 0.004 Å
• α: 90°
• β: 104.4 ± 0.02°
• γ: 90°
• Cell volume: 769.9 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No