Information card for entry 2243430

Structure parameters

• Chemical name: 4-{2,2-Dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C16 H14 Cl3 N3
• Calculated formula: C16 H14 Cl3 N3
• SMILES: c1(ccc(cc1)Cl)/N=N/C(=C(Cl)Cl)c1ccc(cc1)N(C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-chlorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Mukhtarova, Sevinc H.; Suleymanova, Gulnar T.; Toze, Flavien A. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1033 - 1037
• a: 9.7515 ± 0.0005 Å
• b: 9.8203 ± 0.0005 Å
• c: 26.6696 ± 0.0016 Å
• α: 92.338 ± 0.002°
• β: 91.212 ± 0.002°
• γ: 94.048 ± 0.002°
• Cell volume: 2544.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes