Information card for entry 2225239

Structure parameters

• Chemical name: 2-[(2,6-Dichlorobenzyl)amino]-<i>N</i>-(4-methylthiazol-2-yl)acetamide
• Formula: C13 H13 Cl2 N3 O S
• Calculated formula: C13 H13 Cl2 N3 O S
• SMILES: Clc1c(CNCC(=O)Nc2scc(n2)C)c(Cl)ccc1
• Title of publication: 2-[(2,6-Dichlorobenzyl)amino]-<i>N</i>-(4-methylthiazol-2-yl)acetamide
• Authors of publication: Luo, Jie; Zhao, Gui-Long; Shao, Hua; Wang, Yu-Li; Qu, Bao-Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o518
• a: 14.008 ± 0.004 Å
• b: 18.133 ± 0.005 Å
• c: 11.39 ± 0.003 Å
• α: 90°
• β: 97.341 ± 0.003°
• γ: 90°
• Cell volume: 2869.4 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes