Information card for entry 8102805

Structure parameters

• Chemical name: (E)-2-((isopropylimino)methyl)-4-nitrophenol, C~10~H~12~N~2~O~3~
• Formula: C10 H12 N2 O3
• Calculated formula: C10 H12 N2 O3
• SMILES: N(=C\c1c(O)ccc(N(=O)=O)c1)/C(C)C
• Title of publication: Crystal structure of (E)-2-(isopropyliminomethyl)-4-nitrophenol, C10H12N2O3
• Authors of publication: Lina Lin; Weiyu Wu; Jian Zhou; Banfeng Ruan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 565
• a: 11.113 ± 0.003 Å
• b: 5.7871 ± 0.0016 Å
• c: 16.225 ± 0.005 Å
• α: 90°
• β: 103.654 ± 0.005°
• γ: 90°
• Cell volume: 1014 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0704
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No