Information card for entry 2010970

Structure parameters

• Chemical name: N2-(4-Methoxyphenyl)-3-(2-pyrrolidinyliden)-1-chloro-1,1- -difluoro-2-propan imine
• Formula: C14 H15 Cl F2 N2 O
• Calculated formula: C14 H15 Cl F2 N2 O
• SMILES: N1C(=C\C(=N\c2ccc(cc2)OC)C(F)(F)Cl)/CCC1
• Title of publication: 1-Chloro-1,1-difluoro-<i>N</i>-(4-methoxyphenyl)-3-(pyrrolidin-2-ylidene)propan-2-imine
• Authors of publication: Fustero, Santos; García de la Torre, Marta; Ramírez de Arellano, M. Carmen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e213 - e214
• a: 7.6548 ± 0.0015 Å
• b: 10.436 ± 0.002 Å
• c: 17.543 ± 0.004 Å
• α: 90°
• β: 91.34 ± 0.03°
• γ: 90°
• Cell volume: 1401 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.094
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes