Information card for entry 1519742

Structure parameters

• Formula: C9 H9 N3 O2 S2
• Calculated formula: C9 H9 N3 O2 S2
• SMILES: S(=O)(=O)(N=C1SC=CN1)c1ccc(N)cc1
• Title of publication: 4-Amino-N-thiazol-2-ylidenebenzene-sulfonamide (form V)
• Authors of publication: Bingham, Ann E.; Hughes, David S.; Threlfall, Terence L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 399
• a: 10.774 ± 0.001 Å
• b: 8.467 ± 0.001 Å
• c: 11.367 ± 0.001 Å
• α: 90°
• β: 91.65 ± 0.01°
• γ: 90°
• Cell volume: 1036.51 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No