Information card for entry 2224665

Structure parameters

• Chemical name: 3-Chloro-6-[4-(2-pyridyl)piperazin-1-yl]pyridazine
• Formula: C13 H14 Cl N5
• Calculated formula: C13 H14 Cl N5
• SMILES: c1(ccc(nn1)N1CCN(CC1)c1ccccn1)Cl
• Title of publication: 3-Chloro-6-[4-(2-pyridyl)piperazin-1-yl]pyridazine
• Authors of publication: Arslan, Hakan; Utku, Semra; Hardcastle, Kenneth I.; Gökçe, Mehtap; Lense, Sheri
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o35
• a: 5.912 ± 0.003 Å
• b: 8.088 ± 0.005 Å
• c: 13.689 ± 0.008 Å
• α: 83.359 ± 0.009°
• β: 83.019 ± 0.009°
• γ: 75.168 ± 0.009°
• Cell volume: 625.6 ± 0.6 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: 0.0607
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes