Information card for entry 2227337

Structure parameters

• Common name: Cinnamoylthiourea
• Chemical name: 1-(3-phenylprop-2-enoyl)thiourea
• Formula: C10 H10 N2 O S
• Calculated formula: C10 H10 N2 O S
• SMILES: S=C(NC(=O)/C=C/c1ccccc1)N
• Title of publication: Cinnamoylthiourea
• Authors of publication: Hassan, Ibrahim N.; Yamin, Bohari M.; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2796
• a: 14.3313 ± 0.0018 Å
• b: 4.9801 ± 0.0006 Å
• c: 15.4199 ± 0.0019 Å
• α: 90°
• β: 111.612 ± 0.003°
• γ: 90°
• Cell volume: 1023.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1037
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes