Information card for entry 1551058

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide
• Formula: C10 H13 N3 O3
• Calculated formula: C10 H13 N3 O3
• SMILES: N(=O)(=O)c1cc(ccc1)C/C(=N\O)N(C)C
• Title of publication: (<i>E</i>)-<i>N</i>'-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-2-(3-nitrophenyl)acetimidamide
• Authors of publication: Ruan, Yao; Zhao, Hui
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 5
• Pages of publication: x190607
• a: 7.774 ± 0.0006 Å
• b: 8.4772 ± 0.0005 Å
• c: 9.6599 ± 0.0007 Å
• α: 66.595 ± 0.006°
• β: 77.917 ± 0.006°
• γ: 76.113 ± 0.006°
• Cell volume: 562.49 ± 0.07 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: 0.0693
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes