Information card for entry 2243908

Structure parameters

• Chemical name: (<i>E</i>)-4-({2,2-Dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile
• Formula: C17 H14 Cl2 N4
• Calculated formula: C17 H14 Cl2 N4
• SMILES: ClC(=C(/N=N/c1ccc(cc1)C#N)c1ccc(N(C)C)cc1)Cl
• Title of publication: Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-({2,2-dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile
• Authors of publication: Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mlowe, Sixberth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• a: 12.396 ± 0.003 Å
• b: 6.528 ± 0.0007 Å
• c: 20.758 ± 0.003 Å
• α: 90°
• β: 104.39 ± 0.02°
• γ: 90°
• Cell volume: 1627.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.79475 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes