Information card for entry 8106421

Structure parameters

• Chemical name: 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea
• Formula: C14 H11 N3 S2
• Calculated formula: C14 H11 N3 S2
• Title of publication: Crystal structure of 1-(benzo[d]thiazol-2-yl)-3-phenylthiourea, C14H11N3S2
• Authors of publication: Jambi, Suhair M. S.; Al-Obaid, Abdul-Rahman M.; Hosten, Eric C.; Betz, Richard; Bari, Ahmed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 29 - 30
• a: 5.7607 ± 0.0005 Å
• b: 9.8397 ± 0.0009 Å
• c: 12.092 ± 0.0011 Å
• α: 72.899 ± 0.004°
• β: 81.833 ± 0.004°
• γ: 86.796 ± 0.005°
• Cell volume: 648.4 ± 0.1 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: 0.0369
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No