Information card for entry 4512848

Structure parameters

• Formula: C11 H10 N2 O S
• Calculated formula: C11 H10 N2 O S
• SMILES: s1c(/N=C/c2c(cccc2)O)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: 12.2113 ± 0.0006 Å
• b: 8.9422 ± 0.0005 Å
• c: 19.5495 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2134.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No