Information card for entry 2209722

Structure parameters

• Chemical name: 2-Amino-5-(p-nitrophenylsulfonyl)-1,3-thiazole
• Formula: C9 H7 N3 O4 S2
• Calculated formula: C9 H7 N3 O4 S2
• SMILES: s1c(N)ncc1S(=O)(=O)c1ccc(N(=O)=O)cc1
• Title of publication: 2-Amino-5-(<i>p</i>-nitrophenylsulfonyl)-1,3-thiazole
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Nuralın, Fatma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2634 - o2636
• a: 8.631 ± 0.0002 Å
• b: 12.4943 ± 0.0003 Å
• c: 11.4911 ± 0.0004 Å
• α: 90°
• β: 110.874 ± 0.002°
• γ: 90°
• Cell volume: 1157.85 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes