Information card for entry 2211410

Structure parameters

• Chemical name: 4-Chloro-2-[(4-phenylthiazol-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: 4-Chloro-2-[(4-phenylthiazol-2-yl)hydrazonomethyl]phenol: a polymorph with <i>Z</i>' = 2
• Authors of publication: Cemile Daĝ; Hümeyra Paşaoĝlu; Çiĝdem Yüksektepe; Alaaddin Cukurovali; Ebru Murat
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5365 - o5366
• a: 10.8757 ± 0.0004 Å
• b: 8.2302 ± 0.0005 Å
• c: 34.9645 ± 0.0013 Å
• α: 90°
• β: 101.144 ± 0.003°
• γ: 90°
• Cell volume: 3070.6 ± 0.2 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: 0.0729
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes