Information card for entry 2235511

Structure parameters

• Chemical name: 6-Bromo-4-(2-cyclohexylidenehydrazin-1-ylidene)-1-methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine
• Formula: C15 H18 Br N3 O2 S
• Calculated formula: C15 H18 Br N3 O2 S
• SMILES: Brc1ccc2N(S(=O)(=O)C/C(=N\N=C/3CCCCC3)c2c1)C
• Title of publication: 6-Bromo-4-(2-cyclohexylidenehydrazin-1-ylidene)-1-methyl-2,2-dioxo-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine
• Authors of publication: Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem; Safder, Muhammad; Haider, Zeeshan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2088 - o2089
• a: 9.9357 ± 0.0002 Å
• b: 11.2614 ± 0.0003 Å
• c: 15.8263 ± 0.0003 Å
• α: 110.625 ± 0.001°
• β: 91.525 ± 0.003°
• γ: 102.879 ± 0.004°
• Cell volume: 1604.85 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes