Information card for entry 1543752

Structure parameters

• Chemical name: 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene
• Formula: C14 H11 Cl2 N O2
• Calculated formula: C14 H11 Cl2 N O2
• SMILES: Clc1c(CCc2c(N(=O)=O)cc(Cl)cc2)cccc1
• Title of publication: 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene
• Authors of publication: Yeshwanthkumar, H. S.; Nagendra, P.; Siddaraju, B. P.; Chaluvaraju, K. C.; Byrappa, K.; Lokanath, N. K.; Madan Kumar, S.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161204
• a: 7.5774 ± 0.0015 Å
• b: 13.244 ± 0.003 Å
• c: 13.488 ± 0.003 Å
• α: 90°
• β: 97.157 ± 0.007°
• γ: 90°
• Cell volume: 1343 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes