Information card for entry 2224129

Structure parameters

• Chemical name: 4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1<i>H</i>-1,2,4-triazol- 5(4<i>H</i>)-one
• Formula: C10 H10 N4 O3
• Calculated formula: C10 H10 N4 O3
• SMILES: c1(cccc(c1O)O)/C=N/N1C(=O)NN=C1C
• Title of publication: 4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one
• Authors of publication: Tanak, Hasan; Köysal, Yavuz; Yavuz, Metin; Işık, Şamil; Gül, Gülşah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3039
• a: 13.944 ± 0.003 Å
• b: 6.2551 ± 0.0007 Å
• c: 11.882 ± 0.002 Å
• α: 90°
• β: 93.857 ± 0.017°
• γ: 90°
• Cell volume: 1034 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes