Information card for entry 2227005

Structure parameters

• Chemical name: 1-[5-(Dimethylamino)-1-naphthylsulfonyl]imidazolidine-2-thione
• Formula: C15 H17 N3 O2 S2
• Calculated formula: C15 H17 N3 O2 S2
• SMILES: c1(cccc2c(cccc12)S(=O)(=O)N1CCNC1=S)N(C)C
• Title of publication: 1-[5-(Dimethylamino)-1-naphthylsulfonyl]imidazolidine-2-thione
• Authors of publication: Zhang, Yong; Teng, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2181
• a: 15.364 ± 0.004 Å
• b: 6.9814 ± 0.0018 Å
• c: 15.47 ± 0.004 Å
• α: 90°
• β: 113.967 ± 0.004°
• γ: 90°
• Cell volume: 1516.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes