Information card for entry 2017499

Structure parameters

• Chemical name: 2-{2-[2-(9,10-dihydroacridin-9-ylidene)-1-methylhydrazinyl]-4-oxo-4,5-dihydro- 1,3-thiazol-5-ylidene}acetate
• Formula: C20 H16 N4 O3 S
• Calculated formula: C20 H16 N4 O3 S
• SMILES: S1C(=NC(=O)C\1=C\C(=O)OC)N(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: 9.059 ± 0.002 Å
• b: 10.238 ± 0.003 Å
• c: 10.983 ± 0.002 Å
• α: 74.18 ± 0.02°
• β: 76.324 ± 0.018°
• γ: 71.74 ± 0.02°
• Cell volume: 917.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes