Information card for entry 2240723

Structure parameters

• Chemical name: 2-[(<i>E</i>)-2-[(2-chlorophenyl)methylidene]hydrazin-1-yl]-4-phenyl-1,3-thiazole
• Formula: C16 H12 Cl N3 S
• Calculated formula: C16 H12 Cl N3 S
• SMILES: Clc1ccccc1/C=N/Nc1scc(n1)c1ccccc1
• Title of publication: Crystal structure of 2-[(<i>E</i>)-2-(2-chlorobenzylidene)hydrazin-1-yl]-4-phenyl-1,3-thiazole
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o907 - o908
• a: 16.981 ± 0.004 Å
• b: 8.1081 ± 0.0017 Å
• c: 41.66 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5736 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.067
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes