Information card for entry 8106934

Structure parameters

• Formula: C14 H12 Cl N O3
• Calculated formula: C14 H12 Cl N O3
• Title of publication: Crystal structure of 1-(2-chlorophenyl)-2-(2-nitrophenyl)ethan-1-ol, C14H12ClNO3
• Authors of publication: Su, Hongliang; Guo, Xiaoxiong; Zhou, Lunan; Du, Zhenting
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 545 - 546
• a: 7.2044 ± 0.0006 Å
• b: 24.975 ± 0.002 Å
• c: 7.8562 ± 0.0008 Å
• α: 90°
• β: 115.231 ± 0.001°
• γ: 90°
• Cell volume: 1278.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No