Information card for entry 2203568

Structure parameters

• Chemical name: 5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
• Formula: C16 H12 Br N3 O S
• Calculated formula: C16 H12 Br N3 O S
• SMILES: Brc1cc(c(O)cc1)/C=N/Nc1scc(n1)c1ccccc1
• Title of publication: 5-Bromo-2-hydroxybenzaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
• Authors of publication: Sadık, Genç; Necmi, Dege; \?Ibrahim, Yılmaz; Alaaddin, Çukurovalı; Dinçer, Muharrem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o889 - o891
• a: 18.7025 ± 0.0015 Å
• b: 7.9183 ± 0.0008 Å
• c: 10.6063 ± 0.0012 Å
• α: 90°
• β: 106.007 ± 0.007°
• γ: 90°
• Cell volume: 1509.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No