Information card for entry 2234805

Structure parameters

• Chemical name: <i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2<i>H</i>-1,3-benzodioxole- 5-carbohydrazide
• Formula: C15 H10 Br Cl N2 O4
• Calculated formula: C15 H10 Br Cl N2 O4
• SMILES: Brc1c(O)c(cc(Cl)c1)/C=N/NC(=O)c1cc2OCOc2cc1
• Title of publication: <i>N</i>'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-2<i>H</i>-1,3-benzodioxole-5-carbohydrazide
• Authors of publication: Wei, Jiao; Ban, Hong-Yan; Sun, Xiao-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1336 - o1337
• a: 9.769 ± 0.002 Å
• b: 13.041 ± 0.003 Å
• c: 13.251 ± 0.003 Å
• α: 75.558 ± 0.002°
• β: 78.745 ± 0.002°
• γ: 76.527 ± 0.002°
• Cell volume: 1572.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes