Information card for entry 2226191

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>'-(2- thienylmethylidene)acetohydrazide
• Formula: C18 H17 N5 O3 S2
• Calculated formula: C18 H17 N5 O3 S2
• SMILES: S1(=O)(=O)N(c2c(nn(c2C)CC(=O)N/N=C/c2sccc2)c2c1cccc2)C
• 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>'-(2-thienylmethylidene)acetohydrazide
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Khan, Altaf Hussain; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1265 - o1266
• a: 18.5474 ± 0.0002 Å
• b: 11.667 ± 0.0005 Å
• c: 8.4783 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1834.64 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.087
• 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: No
• Has Fobs: Yes