Information card for entry 2237872

Structure parameters

• Chemical name: 2-(2,4-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: O=C(Cc1ccc(cc1Cl)Cl)Nc1nccs1
• Title of publication: 2-(2,4-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: 5
• Pages of publication: o656 - o657
• a: 5.3262 ± 0.0002 Å
• b: 10.5083 ± 0.0004 Å
• c: 10.8096 ± 0.0004 Å
• α: 83.9 ± 0.003°
• β: 86.301 ± 0.003°
• γ: 87.279 ± 0.004°
• Cell volume: 599.82 ± 0.04 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: 0.0736
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes