Information card for entry 2003851

Structure parameters

• Formula: C15 H9 N O4 S
• Calculated formula: C15 H9 N O4 S
• Title of publication: 4-(2-Carboxybenzoyl)-2(3<i>H</i>)-benzothiazolone
• Authors of publication: Lamiot, J.; Baert, F.; Taverne, T.; Houssin, R.; Lesieur, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1912 - 1915
• a: 6.015 ± 0.002 Å
• b: 8.052 ± 0.003 Å
• c: 14.387 ± 0.005 Å
• α: 98.83 ± 0.03°
• β: 94.21 ± 0.03°
• γ: 108.65 ± 0.03°
• Cell volume: 646.8 ± 0.4 ų
• Cell temperature: 293 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 significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0557
• Goodness-of-fit parameter for significantly intense reflections: 1.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No