Information card for entry 8101989

Structure parameters

• Chemical name: 2-bromobenzoic acid hydrazide
• Formula: C7 H7 Br N2 O
• Calculated formula: C7 H7 Br N2 O
• SMILES: Brc1ccccc1C(=O)NN
• Title of publication: Crystal structure of 2-bromobenzoic acid hydrazide, C~7~H~7~BrN~2~O
• Authors of publication: Zareef, M.; Iqbal, R.; Qadeer, G.; Wong, W.-Y.; Akhtar, H.; Arfan, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 305 - 306
• a: 12.769 ± 0.003 Å
• b: 12.754 ± 0.003 Å
• c: 5.0264 ± 0.0011 Å
• α: 90°
• β: 99.874 ± 0.004°
• γ: 90°
• Cell volume: 806.5 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No