Information card for entry 2243445

Structure parameters

• Chemical name: 4-{2,2-Dichloro-1-[(<i>E</i>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C17 H17 Cl2 N3
• Calculated formula: C17 H17 Cl2 N3
• SMILES: c1(ccc(cc1)C)/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>)-2-(4-methylphenyl)diazen-1-yl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Authors of publication: Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Mammadova, Gunay Z.; Mlowe, Sixberth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1122 - 1125
• a: 9.5967 ± 0.0015 Å
• b: 9.6767 ± 0.0015 Å
• c: 10.8043 ± 0.0017 Å
• α: 114.162 ± 0.005°
• β: 109.93 ± 0.005°
• γ: 90.917 ± 0.006°
• Cell volume: 846.3 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes