Information card for entry 2216226

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-[(5-Methylthiophen-2-yl)methylene]isonicotinohydrazide
• Formula: C12 H11 N3 O S
• Calculated formula: C12 H11 N3 O S
• SMILES: s1c(C)ccc1/C=N/NC(=O)c1ccncc1
• Title of publication: (<i>E</i>)-<i>N</i>'-[(5-Methylthiophen-2-yl)methylene]isonicotinohydrazide
• Authors of publication: Wang, Chang-Lu; Zhang, Zhen-Heng; Jing, Zuo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4825 - o4825
• a: 19.172 ± 0.007 Å
• b: 5.884 ± 0.002 Å
• c: 10.273 ± 0.004 Å
• α: 90°
• β: 97.309 ± 0.007°
• γ: 90°
• Cell volume: 1149.5 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes