Information card for entry 7223419

Structure parameters

• Chemical name: 2-(6-hydroxy-2,6-diphenylthiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-1-phenylethanone (20)
• Formula: C24 H17 N3 O2 S
• Calculated formula: C24 H17 N3 O2 S
• SMILES: c1(ccccc1)C(=O)/C=C1/C(c2ccccc2)(n2c(nc(c3ccccc3)n2)S1)O
• Title of publication: One step synthesis of highly functionalized thiazolo[3,2- b][1,2,4]triazole, triazolo[1,5-a]pyrimidine and triazolo[3,4- b][1,3,4]thiadiazine†
• Authors of publication: Shah, Tariq A.; Ahmad, Zubair; Mir, Niyaz A.; Muneer, Mohammad; Ahmad, Musheer; Rath, Nigam P.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.409 ± 0.002 Å
• b: 22.777 ± 0.003 Å
• c: 13.401 ± 0.002 Å
• α: 90°
• β: 99.13°
• γ: 90°
• Cell volume: 4041 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1414
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No