Information card for entry 2216094

Structure parameters

• Chemical name: 2-Bromo-5-methoxybenzohydrazide
• Formula: C8 H9 Br N2 O2
• Calculated formula: C8 H9 Br N2 O2
• SMILES: Brc1c(cc(OC)cc1)C(=O)NN
• Title of publication: 2-Bromo-5-methoxybenzohydrazide
• Authors of publication: Sarojini, B. K.; Mustafa, K.; Narayana, B.; Yathirajan, H. S.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4419 - o4419
• a: 5.015 ± 0.0005 Å
• b: 11.4093 ± 0.001 Å
• c: 16.1736 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 925.42 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes