Information card for entry 2205088

Structure parameters

• Chemical name: 3-[(4-Hydroxy-3-methoxyphenyl)methylenehydrazinocarbonyl]-(1H)-1,2,4-Triazole
• Formula: C11 H11 N5 O3
• Calculated formula: C11 H11 N5 O3
• SMILES: O=C(N/N=C/c1ccc(O)c(OC)c1)c1nc[nH]n1
• Title of publication: 3-[<i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)hydrazinocarbonyl]-1<i>H</i>-1,2,4-triazole
• Authors of publication: Fu-You Pan; Jian-Guo Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o503 - o505
• a: 4.473 ± 0.001 Å
• b: 14.772 ± 0.005 Å
• c: 18.263 ± 0.002 Å
• α: 79.38 ± 0.02°
• β: 88.78 ± 0.01°
• γ: 86.33 ± 0.02°
• Cell volume: 1183.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes