Information card for entry 1543624

Structure parameters

• Chemical name: 2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
• Formula: C18 H12 N2 O3 S
• Calculated formula: C18 H12 N2 O3 S
• SMILES: s1cc(nc1N1C(=O)c2ccccc2C1=O)c1ccc(OC)cc1
• Title of publication: 2-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
• Authors of publication: Saravanan, K.; Archana, K.; Lakshmithendral, K.; Kabilan, S.; Selvanayagam, S.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 7
• Pages of publication: x161053
• a: 7.004 ± 0.009 Å
• b: 14.054 ± 0.017 Å
• c: 15.275 ± 0.019 Å
• α: 90°
• β: 90.368 ± 0.012°
• γ: 90°
• Cell volume: 1504 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1041
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes