Information card for entry 2243498

Structure parameters

• Chemical name: (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine
• Formula: C13 H9 Cl2 N3 O2
• Calculated formula: C13 H9 Cl2 N3 O2
• SMILES: Clc1c(N/N=C/c2cccc(N(=O)=O)c2)c(Cl)ccc1
• Title of publication: (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(3-nitrobenzylidene)hydrazine: crystal structure and Hirshfeld surface analysis
• Authors of publication: Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Mlowe, Sixberth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1291 - 1295
• a: 7.1212 ± 0.0014 Å
• b: 12.711 ± 0.003 Å
• c: 7.6991 ± 0.0016 Å
• α: 90°
• β: 105.94 ± 0.007°
• γ: 90°
• Cell volume: 670.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes