Information card for entry 2210878

Structure parameters

• Chemical name: 4-Chloro-2-[(4-phenyl-thiazol-2-yl)-hydrazonomethyl]-phenol
• Formula: C16 H12 Cl N3 O S
• Calculated formula: C16 H12 Cl N3 O S
• SMILES: Clc1ccc(O)c(/C=N/Nc2scc(n2)c2ccccc2)c1
• Title of publication: The α polymorph of 4-chloro-2-[(4-phenyl-thiazol-2-yl)hydrazonomethyl]phenol
• Authors of publication: Nezihe Çalışkan; Cemile Daĝ; Çiĝdem Yüksektepe; Alaaddin Çukurovalı; Ebru Murat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4889 - o4890
• a: 6.5776 ± 0.0004 Å
• b: 11.2455 ± 0.0008 Å
• c: 20.2612 ± 0.0011 Å
• α: 90°
• β: 101.4 ± 0.004°
• γ: 90°
• Cell volume: 1469.12 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0506
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes