Information card for entry 2017500

Structure parameters

• Chemical name: 2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4<i>H</i>-1,3- thiazin-4-one
• Formula: C18 H14 N4 O S
• Calculated formula: C18 H14 N4 O S
• SMILES: S1C=CC(=O)N=C1N(N=C1c2ccccc2Nc2ccccc12)C
• Title of publication: 4-(9,10-Dihydroacridin-9-ylidene)thiosemicarbazide and its five-membered thiazole and six-membered thiazine derivatives
• Authors of publication: Potočňák, Ivan; Imrich, Ján; Danihel, Ivan; Kožíšek, Jozef; Klika, Karel Douglas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o87 - o92
• a: 4.7035 ± 0.0002 Å
• b: 18.5073 ± 0.0004 Å
• c: 9.1172 ± 0.0002 Å
• α: 90°
• β: 102.689 ± 0.003°
• γ: 90°
• Cell volume: 774.26 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes