Information card for entry 8107043

Structure parameters

• Chemical name: 1-(4-methylthiazol-2-yl)-3-propylthiourea
• Formula: C8 H13 N3 S2
• Calculated formula: C8 H13 N3 S2
• Title of publication: Crystal structure of 1-(4-methylthiazol-2-yl)-3-propylthiourea, C8H13N3S2
• Authors of publication: Jambi, Suhair M.S.; Al-Obaid, Abdulrahman M.; Hosten, Eric C.; Betz, Richard; Bari, Ahmed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 901 - 902
• a: 7.4803 ± 0.0003 Å
• b: 8.4562 ± 0.0003 Å
• c: 9.3531 ± 0.0003 Å
• α: 67.688 ± 0.001°
• β: 74.017 ± 0.001°
• γ: 85.008 ± 0.001°
• Cell volume: 526.07 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No