Information card for entry 2227068

Structure parameters

• Chemical name: 3-Chloro-6-[(<i>E</i>)-2-(1-phenylethylidene)hydrazinyl]pyridazine
• Formula: C12 H11 Cl N4
• Calculated formula: C12 H11 Cl N4
• SMILES: Clc1ccc(nn1)N/N=C(/c1ccccc1)C
• Title of publication: 3-Chloro-6-[(<i>E</i>)-2-(1-phenylethylidene)hydrazinyl]pyridazine
• Authors of publication: Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2107
• a: 12.8006 ± 0.0006 Å
• b: 7.4703 ± 0.0005 Å
• c: 24.952 ± 0.0014 Å
• α: 90°
• β: 90.737 ± 0.002°
• γ: 90°
• Cell volume: 2385.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes