Information card for entry 2202942

Structure parameters

• Formula: C14 H15 Cl N2 O2
• Calculated formula: C14 H15 Cl N2 O2
• SMILES: c1(cc(=O)n(nc1C)CCO)Cc1c(Cl)cccc1
• Title of publication: 5-(2-Chlorobenzyl)-2-(2-hydroxyethyl)-6-methylpyridazin-3(2<i>H</i>)-one
• Authors of publication: Abourichaa, Said; Benchat, Noureddine; Anaflous, Abderahlmane; Melhaoui, Amina; Ben-Hadda, Taibi; Oussaid, Boualem; El Bali, Brahim; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1041 - o1042
• a: 10.6426 ± 0.0013 Å
• b: 7.3564 ± 0.0008 Å
• c: 18.467 ± 0.002 Å
• α: 90°
• β: 101.409 ± 0.009°
• γ: 90°
• Cell volume: 1417.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes