Information card for entry 2238019

Structure parameters

• Chemical name: 2-(3,4-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(Nc1nccs1)Cc1ccc(c(c1)Cl)Cl
• Title of publication: 2-(3,4-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: o645 - o646
• a: 4.6185 ± 0.0003 Å
• b: 7.7741 ± 0.0007 Å
• c: 17.1188 ± 0.0012 Å
• α: 100.278 ± 0.007°
• β: 94.25 ± 0.006°
• γ: 105.001 ± 0.007°
• Cell volume: 579.47 ± 0.08 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: 0.0948
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes