Information card for entry 7232952

Structure parameters

• Formula: C12 H14 Br2 N2 O3
• Calculated formula: C12 H14 Br2 N2 O3
• Title of publication: Quick construction of a C‒N bond from arylsulfonyl hydrazides and Csp2‒X compounds promoted by DMAP at room temperature
• Authors of publication: Yang, Kai; Gao, Juan-Juan; Luo, Shi-He; Wu, Han-Qing; Pang, Chu-Ming; Wang, Bo-Wen; Chen, Xiao-Yun; Wang, Zhao-Yang
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 35
• Pages of publication: 19917
• a: 8.8741 ± 0.0011 Å
• b: 7.988 ± 0.0012 Å
• c: 21.034 ± 0.003 Å
• α: 90°
• β: 96.975 ± 0.012°
• γ: 90°
• Cell volume: 1480 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No