Information card for entry 1546923

Structure parameters

• Chemical name: 1-Vinyl-4-imidazoline-2-thione
• Formula: C5 H6 N2 S
• Calculated formula: C5 H6 N2 S
• SMILES: S=C1N(C=CN1)C=C
• Title of publication: 1-Vinyl-4-imidazoline-2-thione
• Authors of publication: Lampl, Martin; Laus, Gerhard; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: x171207
• a: 10.7775 ± 0.0003 Å
• b: 9.6848 ± 0.0003 Å
• c: 12.1792 ± 0.0004 Å
• α: 90°
• β: 108.139 ± 0.001°
• γ: 90°
• Cell volume: 1208.06 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes