Information card for entry 2220593

Structure parameters

• Formula: C8 H8 N4 S
• Calculated formula: C8 H8 N4 S
• SMILES: s1c(ccc1C)/C=N/c1n[nH]cn1
• Title of publication: <i>N</i>-[(<i>E</i>)-(5-Methylthiophen-2-yl)methylidene]-1<i>H</i>-1,2,4-triazol-3-amine
• Authors of publication: Chohan, Zahid H.; Hanif, Muhammad; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o117
• a: 7.257 ± 0.0007 Å
• b: 8.9522 ± 0.0008 Å
• c: 14.293 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 928.56 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes