Information card for entry 2233613

Structure parameters

• Chemical name: 6-Chloro-<i>N</i>-(2-methoxyphenyl)pyridazin-3-amine
• Formula: C11 H10 Cl N3 O
• Calculated formula: C11 H10 Cl N3 O
• SMILES: Clc1nnc(Nc2ccccc2OC)cc1
• Title of publication: 6-Chloro-<i>N</i>-(2-methoxyphenyl)pyridazin-3-amine
• Authors of publication: Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Muhammad Naeem; Khan, Misbahul Ain; Athar, Muhammad Makshoof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o438 - o439
• a: 14.6018 ± 0.0005 Å
• b: 10.8574 ± 0.0003 Å
• c: 17.463 ± 0.0006 Å
• α: 90°
• β: 126.438 ± 0.002°
• γ: 90°
• Cell volume: 2227.29 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes