Information card for entry 2017501

Structure parameters

• Chemical name: 4-(9,10-dihydroacridin-9-ylidene)thiosemicarbazide
• Formula: C14 H12 N4 S
• Calculated formula: C14 H12 N4 S
• SMILES: NC(=S)NN=C1c2ccccc2Nc2ccccc12
• 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: 8.6535 ± 0.0005 Å
• b: 18.6374 ± 0.0009 Å
• c: 7.835 ± 0.0006 Å
• α: 90°
• β: 99.372 ± 0.006°
• γ: 90°
• Cell volume: 1246.75 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes