Information card for entry 2229167

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-[(4-chlorophenyl)(phenyl)methyl]-<i>N</i>-[2-(4-nitro- 1<i>H</i>-imidazol-1-yl)ethyl]ethanamine
• Formula: C20 H20 Cl2 N4 O2
• Calculated formula: C20 H20 Cl2 N4 O2
• SMILES: c1(ccc(cc1)C(c1ccccc1)N(CCCl)CCn1cnc(c1)N(=O)=O)Cl
• Title of publication: 2-Chloro-<i>N</i>-[(4-chlorophenyl)(phenyl)methyl]-<i>N</i>-[2-(4-nitro-1<i>H</i>-imidazol-1-yl)ethyl]ethanamine
• Authors of publication: Zhang, Wen-Tai; Zhou, Cheng-He; Ji, Qing-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o491
• a: 8.8206 ± 0.0016 Å
• b: 25.005 ± 0.005 Å
• c: 9.045 ± 0.0017 Å
• α: 90°
• β: 100.802 ± 0.003°
• γ: 90°
• Cell volume: 1959.6 ± 0.6 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: 0.0767
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes