Information card for entry 2218493

Structure parameters

• Chemical name: (<i>E</i>)-Methyl 1,3-thiazol-2-yl ketone 2,4-dinitrophenylhydrazone
• Formula: C11 H9 N5 O4 S
• Calculated formula: C11 H9 N5 O4 S
• SMILES: s1c(ncc1)/C(=N\Nc1c(N(=O)=O)cc(N(=O)=O)cc1)C
• Title of publication: (<i>E</i>)-Methyl 1,3-thiazol-2-yl ketone 2,4-dinitrophenylhydrazone
• Authors of publication: Shan, Shang; Tian, Yu-Liang; Wang, Shan-Heng; Wang, Wen-Long; Xu, Ying-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1156
• a: 8.0126 ± 0.0005 Å
• b: 7.3239 ± 0.0004 Å
• c: 21.8683 ± 0.0012 Å
• α: 90°
• β: 92.61 ± 0.002°
• γ: 90°
• Cell volume: 1281.98 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes