Information card for entry 2230026

Structure parameters

• Chemical name: 3-{(<i>E</i>)-[1-(2-Hydroxyphenyl)ethylidene]amino}-1-(2-methylphenyl)thiourea
• Formula: C16 H17 N3 O S
• Calculated formula: C16 H17 N3 O S
• SMILES: S=C(N/N=C(c1c(O)cccc1)\C)Nc1ccccc1C
• Title of publication: 3-{(<i>E</i>)-[1-(2-Hydroxyphenyl)ethylidene]amino}-1-(2-methylphenyl)thiourea
• Authors of publication: Salam, Md. Abdus; Affan, Md. Abu; Asaruddin, Mohd. Razip; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1164
• a: 14.6966 ± 0.0008 Å
• b: 7.3586 ± 0.0004 Å
• c: 14.0926 ± 0.0008 Å
• α: 90°
• β: 94.358 ± 0.005°
• γ: 90°
• Cell volume: 1519.66 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.111
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes