Information card for entry 2237637

Structure parameters

• Chemical name: 2-(2,6-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide
• Formula: C11 H8 Cl2 N2 O S
• Calculated formula: C11 H8 Cl2 N2 O S
• SMILES: s1c(NC(=O)Cc2c(Cl)cccc2Cl)ncc1
• Title of publication: 2-(2,6-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide
• Authors of publication: Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.; Jasinski, Jerry P.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o523
• a: 7.1278 ± 0.0004 Å
• b: 8.4434 ± 0.0004 Å
• c: 10.3637 ± 0.0006 Å
• α: 95.341 ± 0.004°
• β: 106.14 ± 0.005°
• γ: 96.745 ± 0.004°
• Cell volume: 589.8 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes