Information card for entry 2216608

Structure parameters

• Chemical name: 1-Bromo-2,6-bis(<i>N</i>-morpholinylmethyl)benzene
• Formula: C16 H23 Br N2 O2
• Calculated formula: C16 H23 Br N2 O2
• SMILES: Brc1c(cccc1CN1CCOCC1)CN1CCOCC1
• Title of publication: 1-Bromo-2,6-bis(<i>N</i>-morpholinylmethyl)benzene
• Authors of publication: Copolovici, Lucian; Bojan, Vilma; Silvestru, Cristian; Varga, Richard A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4570 - o4570
• a: 9.7086 ± 0.0006 Å
• b: 18.1384 ± 0.0012 Å
• c: 18.7167 ± 0.0012 Å
• α: 90°
• β: 92.685 ± 0.001°
• γ: 90°
• Cell volume: 3292.4 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes