Information card for entry 2007488

Structure parameters

• Formula: C12 H10 Cl2 N2
• Calculated formula: C12 H10 Cl2 N2
• SMILES: C(c1cc(Cl)nnc1C)c1c(Cl)cccc1
• Title of publication: 6-Chloro-4-(<i>o</i>-chlorobenzyl)-3-methylpyridazine at 173K
• Authors of publication: Benchat, Nour-Eddine; Taoufik, Jamal; Essassi, El-Mokhtar; Ramdani, Abdelkrim; El-Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 964 - 966
• a: 12.8011 ± 0.0002 Å
• b: 9.6258 ± 0.0002 Å
• c: 19.4453 ± 0.0002 Å
• α: 90°
• β: 92.882 ± 0.001°
• γ: 90°
• Cell volume: 2393.04 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No