Information card for entry 2228786

Structure parameters

• Chemical name: 2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>- pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3- methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate
• Formula: C22.5 H24.5 N5.5 O4.5 S
• Calculated formula: C22.5 H24.5 N5.5 O4.5 S
• Title of publication: 2-(3,4-Dimethyl-5,5-dioxo-2<i>H</i>,4<i>H</i>-pyrazolo[4,3-<i>c</i>][1,2]benzothiazin-2-yl)-<i>N</i>'-(3-methoxybenzylidene)acetohydrazide dimethylformamide hemisolvate
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Khattak, Manzoor Iqbal; Ahmad, Saeed; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o216 - o217
• a: 18.3806 ± 0.0005 Å
• b: 8.1155 ± 0.0002 Å
• c: 30.4715 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4545.37 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes