Information card for entry 2204775

Structure parameters

• Common name: Imidachloprid
• Chemical name: (2E)-1-[(6-Chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (imidachloprid)
• Formula: C9 H10 Cl N5 O2
• Calculated formula: C9 H10 Cl N5 O2
• SMILES: Clc1ncc(cc1)CN1CCNC/1=N\N(=O)=O
• Title of publication: (2<i>E</i>)-1-[(6-Chloropyridin-3-yl)methyl]-<i>N</i>-nitroimidazolidin-2-imine (imidachloprid)
• Authors of publication: Chopra, Deepak; Mohan, T. P.; Rao, K. S.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2415 - o2417
• a: 19.29 ± 0.008 Å
• b: 4.839 ± 0.002 Å
• c: 11.784 ± 0.005 Å
• α: 90°
• β: 99.22 ± 0.006°
• γ: 90°
• Cell volume: 1085.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes