Information card for entry 2210456

Structure parameters

• Chemical name: Ethyl [2-(2-phenyl-1H-indol-3-yldiazenyl)-1,3-thiazol-4-yl]acetate
• Formula: C21 H18 N4 O2 S
• Calculated formula: C21 H18 N4 O2 S
• SMILES: s1c(N=Nc2c3ccccc3[nH]c2c2ccccc2)nc(c1)CC(=O)OCC
• Title of publication: Ethyl [2-(2-phenyl-1<i>H</i>-indol-3-yldiazenyl)-1,3-thiazol-4-yl]acetate
• Authors of publication: Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3835 - o3837
• a: 10.6111 ± 0.0001 Å
• b: 10.504 ± 0.0002 Å
• c: 17.3345 ± 0.0002 Å
• α: 90°
• β: 100.248 ± 0.001°
• γ: 90°
• Cell volume: 1901.26 ± 0.05 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: 0.1335
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes