Information card for entry 2243483

Structure parameters

• Chemical name: (<i>E</i>)-4-{2,2-Dichloro-1-[(3,5-dimethylphenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline
• Formula: C18 H19 Cl2 N3
• Calculated formula: C18 H19 Cl2 N3
• SMILES: c1(cc(cc(c1)C)C)/N=N/C(=C(Cl)Cl)c1ccc(cc1)N(C)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-{2,2-dichloro-1-[(3,5-dimethylphenyl)diazenyl]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.; Shadrack, Daniel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1251 - 1254
• a: 8.1035 ± 0.0004 Å
• b: 9.1965 ± 0.0005 Å
• c: 12.3665 ± 0.0007 Å
• α: 102.421 ± 0.002°
• β: 95.88 ± 0.002°
• γ: 91.105 ± 0.002°
• Cell volume: 894.48 ± 0.08 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: 0.055
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes