Information card for entry 2018292

Structure parameters

• Chemical name: (<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro- 1,3-benzothiazol-2-imine
• Formula: C21 H14 N4 O2 S
• Calculated formula: C21 H14 N4 O2 S
• SMILES: S1/C(N(c2ccccc12)C)=N\c1cc2nc3ccc(cc3cc2cc1)N(=O)=O
• Title of publication: (<i>Z</i>)-3-Methyl-<i>N</i>-(7-nitroacridin-3-yl)-2,3-dihydro-1,3-benzothiazol-2-imine from laboratory powder diffraction data
• Authors of publication: Vallcorba, Oriol; Latorre, Sonia; Alcobé, Xavier; Miravitlles, Carles; Rius, Jordi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o425 - o427
• a: 36.627 ± 0.004 Å
• b: 12.5071 ± 0.001 Å
• c: 7.5769 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3471 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Goodness-of-fit parameter for all reflections: 1.667
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No