Information card for entry 2016279

Structure parameters

• Chemical name: (4Z)-4-Amino-2-(4-hydroxyphenyl)-1H-imidazol-5(2H)-one oxime 3-oxide
• Formula: C9 H10 N4 O3
• Calculated formula: C9 H10 N4 O3
• SMILES: O=N1C(NC(C=1N)=NO)c1ccc(O)cc1
• Title of publication: (5<i>Z</i>)-4-Amino-2-(4-hydroxyphenyl)-1<i>H</i>-imidazol-5(2<i>H</i>)-one oxime 3-oxide
• Authors of publication: Xue-Qin Cao; Zhan-Xiong Li; Guo-Qiang Chen; De-Chun Zhang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o671 - o672
• a: 6.6739 ± 0.0011 Å
• b: 7.5697 ± 0.0016 Å
• c: 10.899 ± 0.002 Å
• α: 85.036 ± 0.018°
• β: 75.039 ± 0.015°
• γ: 66.596 ± 0.011°
• Cell volume: 488.1 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes