Information card for entry 2241820

Structure parameters

• Chemical name: Ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate
• Formula: C21 H22 N2 O2 S
• Calculated formula: C21 H22 N2 O2 S
• SMILES: s1c(nc(c1)c1ccc(cc1)C(C)C)c1c(NC(=O)OCC)cccc1
• Title of publication: Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate
• Authors of publication: Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1321 - 1325
• a: 5.4534 ± 0.0011 Å
• b: 17.203 ± 0.003 Å
• c: 20.06 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes