Information card for entry 2227518

Structure parameters

• Chemical name: 3-[(2<i>E</i>)-2-(Butan-2-ylidene)hydrazinyl]-6-chloropyridazine
• Formula: C8 H11 Cl N4
• Calculated formula: C8 H11 Cl N4
• SMILES: CC(=N\Nc1ccc(nn1)Cl)/CC
• Title of publication: 3-[(2<i>E</i>)-2-(Butan-2-ylidene)hydrazinyl]-6-chloropyridazine
• 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: 10
• Pages of publication: o2499
• a: 8.0623 ± 0.0004 Å
• b: 11.6768 ± 0.0005 Å
• c: 12.1314 ± 0.0005 Å
• α: 113.858 ± 0.001°
• β: 91.37 ± 0.002°
• γ: 104.88 ± 0.002°
• Cell volume: 998.85 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes