Information card for entry 4512851

Structure parameters

• Formula: C15 H12 N2 O S
• Calculated formula: C15 H12 N2 O S
• SMILES: s1c(/N=C/c2c(O)ccc3c2cccc3)ncc1C
• Title of publication: Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics
• Authors of publication: Phukan, Nithi; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1843
• a: 5.7381 ± 0.0003 Å
• b: 16.008 ± 0.0007 Å
• c: 28.0274 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2574.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No