Information card for entry 2213440

Structure parameters

• Chemical name: 2-[(5-Methylthiazol-2-ylimino)methyl]phenol
• Formula: C11 H10 N2 O S
• Calculated formula: C11 H10 N2 O S
• SMILES: s1c(C)cnc1/N=C/c1c(O)cccc1
• Title of publication: 2-[(5-Methylthiazol-2-ylimino)methyl]phenol
• Authors of publication: Chun-Niu Zhang; Ming-Hua Yang; Yun-Fa Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2040 - o2041
• a: 13.991 ± 0.002 Å
• b: 5.0713 ± 0.0008 Å
• c: 17.0873 ± 0.0017 Å
• α: 90°
• β: 119.956 ± 0.008°
• γ: 90°
• Cell volume: 1050.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes