Information card for entry 2211328

Structure parameters

• Chemical name: Ethyl 2-{[(2-phenyl-1H-indol-3-yl)diazenyl]thiazol-4-yl}acetate
• Formula: C22 H20 N4 O2 S
• Calculated formula: C22 H20 N4 O2 S
• SMILES: s1c(N=Nc2c3ccccc3n(c2c2ccccc2)C)nc(c1)CC(=O)OCC
• Title of publication: Ethyl 2-{2-[(1-methyl-2-phenyl-1<i>H</i>-indol-3-yl)diazenyl]thiazol-4-yl}acetate
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Saylam, Aytül; Ertan , Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5488 - o5489
• a: 9.5545 ± 0.0003 Å
• b: 16.5418 ± 0.0002 Å
• c: 13.1399 ± 0.0003 Å
• α: 90°
• β: 101.07 ± 0.11°
• γ: 90°
• Cell volume: 2038.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1116
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes