Information card for entry 7058304

Structure parameters

• Formula: C10 H11 Br N2
• Calculated formula: C10 H11 Br N2
• Title of publication: New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives
• Authors of publication: Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 7035
• a: 6.1222 ± 0.001 Å
• b: 11.956 ± 0.002 Å
• c: 14.361 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1051.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No