Information card for entry 2210272

Structure parameters

• Chemical name: N'-[1-(5-Bromo-2-hydroxyphenyl)methylidene]isonicotinohydrazide
• Formula: C13 H10 Br N3 O2
• Calculated formula: C13 H10 Br N3 O2
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1ccncc1
• Title of publication: <i>N</i>'-[1-(5-Bromo-2-hydroxyphenyl)methylidene]isonicotinohydrazide
• Authors of publication: De-Suo Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3792 - o3793
• a: 8.563 ± 0.001 Å
• b: 15.875 ± 0.002 Å
• c: 9.368 ± 0.002 Å
• α: 90°
• β: 100.448 ± 0.002°
• γ: 90°
• Cell volume: 1252.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes