Information card for entry 2213363

Structure parameters

• Chemical name: 2'-[(5-Bromo-1<i>H</i>-indol-3-yl)methylene]-2-(1<i>H</i>-indol-\ 3-yl)acetohydrazide ethyl acetate solvate
• Formula: C23 H23 Br N4 O3
• Calculated formula: C23 H23 Br N4 O3
• SMILES: Brc1cc2c(C=NNC(=O)Cc3c4c([nH]c3)cccc4)c[nH]c2cc1.O=C(OCC)C
• Title of publication: 2'-[(5-Bromo-1<i>H</i>-indol-3-yl)methylene]-2-(1<i>H</i>-indol-3-yl)acetohydrazide ethyl acetate solvate
• Authors of publication: Ali, Hapipah M.; Nazzatush Shimar, Jamaludin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2731 - o2731
• a: 11.9285 ± 0.0002 Å
• b: 12.801 ± 0.0002 Å
• c: 15.5177 ± 0.0003 Å
• α: 90°
• β: 110.665 ± 0.001°
• γ: 90°
• Cell volume: 2217.05 ± 0.07 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: 0.048
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes