Information card for entry 2239191

Structure parameters

• Chemical name: 4-Amino-<i>N</i>-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide; 2,4,6-tris(pyridin-2-yl)-1,3,5-triazine
• Formula: C27 H21 N9 O2 S2
• Calculated formula: C27 H21 N9 O2 S2
• SMILES: S1C(NC=C1)=NS(=O)(=O)c1ccc(N)cc1.n1c(nc(nc1c1ncccc1)c1ncccc1)c1ncccc1
• Title of publication: 4-Amino-<i>N</i>-(2,3-dihydro-1,3-thiazol-2-ylidene)benzenesulfonamide‒2,4,6-tris(pyridin-2-yl)-1,3,5-triazine (1/1)
• Authors of publication: Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o402 - o403
• a: 8.8109 ± 0.0013 Å
• b: 12.7222 ± 0.0016 Å
• c: 13.1696 ± 0.0014 Å
• α: 66.227 ± 0.006°
• β: 73.797 ± 0.006°
• γ: 88.068 ± 0.009°
• Cell volume: 1292.1 ± 0.3 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes