Information card for entry 1573538

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-(4-Hydroxyphenyl)methylidene]-1<i>H</i>-1,2,4-triazol-3-amine
• Formula: C9 H10 N4 O2
• Calculated formula: C9 H10 N4 O2
• SMILES: Oc1ccc(cc1)/C=N/c1n[nH]cn1.O
• Authors of publication: Boutheina, Boualia; Zakaria, Bouhidel; Cherouana, Aouatef; El-Eulmi, Bendeif
• Journal of publication: Acta Crystallographica, Section E: Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• Pages of publication: 80 - 84
• a: 3.7638 ± 0.0001 Å
• b: 9.286 ± 0.003 Å
• c: 26.194 ± 0.002 Å
• α: 90°
• β: 93.786 ± 0.002°
• γ: 90°
• Cell volume: 913.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0761
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No