Information card for entry 2240625

Structure parameters

• Chemical name: 4-Bromo-2-[(<i>E</i>)-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate
• Formula: C16 H27 Br N2 O3
• Calculated formula: C16 H27 Br N2 O3
• Title of publication: Crystal structure of 4-bromo-2-[(<i>E</i>)-<i>N</i>-(2,2,6,6-tetramethylpiperidin-4-yl)carboximidoyl]phenol dihydrate
• Authors of publication: Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o349 - o350
• a: 39.6126 ± 0.0007 Å
• b: 6.0497 ± 0.0001 Å
• c: 14.8673 ± 0.0003 Å
• α: 90°
• β: 98.889 ± 0.001°
• γ: 90°
• Cell volume: 3520.07 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes