Information card for entry 2022178

Structure parameters

• Chemical name: (<i>E</i>)-1-(2,6-Dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine
• Formula: C13 H9 Cl2 N3 O2
• Calculated formula: C13 H9 Cl2 N3 O2
• SMILES: Clc1c(N/N=C/c2ccccc2N(=O)=O)c(Cl)ccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of (E)-1-(2,6-dichlorophenyl)-2-(2-nitrobenzylidene)hydrazine
• Authors of publication: Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Gurbanova, Nurana V.; Mammadova, Gunay Z.; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1173
• a: 7.1138 ± 0.0004 Å
• b: 12.6827 ± 0.0006 Å
• c: 15.1613 ± 0.0008 Å
• α: 90°
• β: 100.571 ± 0.002°
• γ: 90°
• Cell volume: 1344.67 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes