Information card for entry 7151335

Structure parameters

• Formula: C14 H15 Cl N2 O2
• Calculated formula: C14 H15 Cl N2 O2
• SMILES: Clc1n[nH]c(Oc2ccccc2)c(c1=O)CCCC
• Title of publication: A novel approach to functionalised pyridazinone arrays.
• Authors of publication: Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 4278 - 4280
• a: 9.227 ± 0.002 Å
• b: 12.144 ± 0.003 Å
• c: 12.904 ± 0.003 Å
• α: 90°
• β: 91.55 ± 0.015°
• γ: 90°
• Cell volume: 1445.4 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No