Information card for entry 2236457

Structure parameters

• Chemical name: Ethyl 2-(3,4-dimethyl-5,5-dioxo-1<i>H</i>,4<i>H</i>- benzo[<i>e</i>]pyrazolo[4,3-<i>c</i>][1,2]thiazin-1-yl)acetate
• Formula: C15 H17 N3 O4 S
• Calculated formula: C15 H17 N3 O4 S
• Title of publication: Ethyl 2-(3,4-dimethyl-5,5-dioxo-1<i>H</i>,4<i>H</i>-benzo[<i>e</i>]pyrazolo[4,3-<i>c</i>][1,2]thiazin-1-yl)acetate
• Authors of publication: Aslam, Sana; Siddiqui, Hamid Latif; Ahmad, Matloob; Zia-ur-Rehman, Muhammad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3010
• a: 8.3027 ± 0.0002 Å
• b: 8.5915 ± 0.0003 Å
• c: 22.3476 ± 0.0007 Å
• α: 90°
• β: 90.674 ± 0.002°
• γ: 90°
• Cell volume: 1594 ± 0.08 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: 0.0756
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes