Information card for entry 2213107

Structure parameters

• Chemical name: 2-Bromo-5-methoxy-N'-[(E)-(2-nitrophenyl)methylene]benzohydrazide
• Formula: C15 H12 Br N3 O4
• Calculated formula: C15 H12 Br N3 O4
• SMILES: Brc1c(C(=O)N/N=C/c2c(cccc2)N(=O)=O)cc(cc1)OC
• Title of publication: 2-Bromo-5-methoxy-<i>N</i>'-[(<i>E</i>)-(2-nitrophenyl)methylene]benzohydrazide
• Authors of publication: Yathirajan, H. S.; Sarojini, B. K.; Narayana, B.; Sunil, K.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2719 - o2719
• a: 8.1611 ± 0.0006 Å
• b: 9.0279 ± 0.0006 Å
• c: 21.3467 ± 0.0015 Å
• α: 85.585 ± 0.006°
• β: 89.441 ± 0.006°
• γ: 75.912 ± 0.005°
• Cell volume: 1520.88 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes