Information card for entry 2003908

Structure parameters

• Formula: C12 H11 Cl N2 O
• Calculated formula: C12 H11 Cl N2 O
• Title of publication: 5-(2-Chlorobenzyl)-6-methyl-3(2<i>H</i>)-pyridazinone
• Authors of publication: Moreau, S.; Metin, J.; Coudert, P.; Couquelet, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1834 - 1836
• a: 7.27 ± 0.001 Å
• b: 7.076 ± 0.004 Å
• c: 11.227 ± 0.001 Å
• α: 90°
• β: 100.57 ± 0.01°
• γ: 90°
• Cell volume: 567.7 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.67
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No