Information card for entry 8102806

Structure parameters

• Chemical name: (E)-4-chloro-2-((isopropylimino)methyl)phenol, C~10~H~12~Cl~N~O
• Formula: C10 H12 Cl N O
• Calculated formula: C10 H12 Cl N O
• SMILES: Clc1ccc(O)c(c1)/C=N/C(C)C
• Title of publication: Crystal structure of (E)-4-chloro-2-(isopropyliminomethyl)phenol, C10H12ClNO
• Authors of publication: Lina Lin; Jian Zhou; Weiyu Wu; Banfeng Ruan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 567
• a: 21.459 ± 0.002 Å
• b: 5.6893 ± 0.0006 Å
• c: 17.7603 ± 0.0019 Å
• α: 90°
• β: 105.137 ± 0.002°
• γ: 90°
• Cell volume: 2093.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No