Information card for entry 2213343

Structure parameters

• Chemical name: 4-Bromobenzamide oxime
• Formula: C7 H7 Br N2 O
• Calculated formula: C7 H7 Br N2 O
• SMILES: Brc1ccc(cc1)C(N)=NO
• Title of publication: 4-Bromobenzamide oxime
• Authors of publication: Xing, Zhi-Tao; Wang, Hai-Bo; Yin, Jun; Wu, Wen-Yuan; Han, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2236 - o2237
• a: 8.1347 ± 0.0016 Å
• b: 12.964 ± 0.003 Å
• c: 7.6517 ± 0.0015 Å
• α: 90°
• β: 90.41 ± 0.03°
• γ: 90°
• Cell volume: 806.9 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes