Information card for entry 2205898

Structure parameters

• Chemical name: 2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol
• Formula: C16 H13 N3 O S
• Calculated formula: C16 H13 N3 O S
• SMILES: s1c(nc(c1)c1ccccc1)N\N=C\c1c(O)cccc1
• Title of publication: 2-[(4-Phenylthiazol-2-yl)hydrazonomethyl]phenol
• Authors of publication: Dinçer, Muharrem; Özdemir, Namık; Çukurovalı, Alaaddin; Yılmaz, İbrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1712 - o1714
• a: 8.5129 ± 0.0013 Å
• b: 30.047 ± 0.004 Å
• c: 11.1308 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2847.1 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1699
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes