Information card for entry 2214791

Structure parameters

• Chemical name: 2-Bromo-5-methoxy-N'-[(E)-(4-nitrophenyl)methylene]benzohydrazide
• Formula: C15 H12 Br N3 O4
• Calculated formula: C15 H12 Br N3 O4
• SMILES: Brc1c(C(=O)N/N=C/c2ccc(N(=O)=O)cc2)cc(OC)cc1
• Title of publication: 2-Bromo-5-methoxy-<i>N</i>'-[(<i>E</i>)-(4-nitrophenyl)methylene]benzohydrazide
• Authors of publication: Narayana, B.; Siddaraju, B. P.; Raju, C. R.; Yathirajan, H. S.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3522 - o3522
• a: 7.2604 ± 0.0008 Å
• b: 21.8931 ± 0.0019 Å
• c: 9.5795 ± 0.0012 Å
• α: 90°
• β: 97.882 ± 0.009°
• γ: 90°
• Cell volume: 1508.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes