Information card for entry 2005597

Structure parameters

• Chemical name: [2-thione-3(N)-[9'(2''-methoxy-6''-chloro)acridinyl]-5-[2'-(di ethylamino)ethylthio]]-1,3,4-thiadiazole
• Formula: C22 H23 Cl N4 O S3
• Calculated formula: C22 H23 Cl N4 O S3
• SMILES: Clc1ccc2c(c3cc(ccc3nc2c1)OC)N1C(=S)SC(SCCN(CC)CC)=N1
• Title of publication: A Potential Antiprotozoal Drug Containing Acridine and Thiadiazole Moieties
• Authors of publication: Karolak-Wojciechowska, J.; Mrozek, A.; Amiel, P.; Brouant, P.; Barbe, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2939 - 2941
• a: 20.977 ± 0.004 Å
• b: 8.943 ± 0.002 Å
• c: 25.504 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4784.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.209
• Weighted residual factors for significantly intense reflections: 0.1745
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No