Information card for entry 2227987

Structure parameters

• Chemical name: 3-Chloro-6-[2-(propan-2-ylidene)hydrazinyl]pyridazine
• Formula: C7 H9 Cl N4
• Calculated formula: C7 H9 Cl N4
• SMILES: Clc1nnc(NN=C(C)C)cc1
• Title of publication: 3-Chloro-6-[2-(propan-2-ylidene)hydrazinyl]pyridazine
• Authors of publication: Ather, Abdul Qayyum; Tahir, M. Nawaz; Khan, Misbahul Ain; Athar, Muhammad Makshoof
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2441
• a: 20.6635 ± 0.0019 Å
• b: 7.8202 ± 0.0006 Å
• c: 11.3266 ± 0.0008 Å
• α: 90°
• β: 94.14 ± 0.003°
• γ: 90°
• Cell volume: 1825.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes