Information card for entry 2010073

Structure parameters

• Formula: C16 H15 N3 S2
• Calculated formula: C16 H15 N3 S2
• SMILES: S=C(N1CCS/C1=N\c1ccccc1)Nc1ccccc1
• Title of publication: <i>N</i>-Phenyl-2-phenyliminotetrahydro-1,3-thiazole-2-carbothioamide, C~16~H~15~N~3~S~2~
• Authors of publication: Diánez, M.J.; Estrada, M.D.; López-Castro, A.; Pérez-Garrido, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 10
• Pages of publication: 1640 - 1642
• a: 11.04 ± 0.001 Å
• b: 18.373 ± 0.001 Å
• c: 7.474 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1516 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No