Information card for entry 2210851

Structure parameters

• Chemical name: 1-(1,3-Benzothiazol-2-yl)-4,5-dihydroxy-3-phenylimidazolidin-2-one
• Formula: C16 H13 N3 O3 S
• Calculated formula: C16 H13 N3 O3 S
• SMILES: s1c2c(nc1N1[C@H](O)[C@@H](O)N(c3ccccc3)C1=O)cccc2.s1c2c(nc1N1[C@@H](O)[C@H](O)N(c3ccccc3)C1=O)cccc2
• Title of publication: 1-(1,3-Benzothiazol-2-yl)-4,5-dihydroxy-3-phenylimidazolidin-2-one
• Authors of publication: Olyaei, Abolfazl; Abbasi, Alireza; Ghandi, Mehdi; Salimi, Farshid; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5326 - o5327
• a: 13.6414 ± 0.0018 Å
• b: 14.17 ± 0.002 Å
• c: 7.9521 ± 0.001 Å
• α: 90°
• β: 104.113 ± 0.015°
• γ: 90°
• Cell volume: 1490.7 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes