Information card for entry 2224670

Structure parameters

• Chemical name: <i>N</i>-(4-Bromophenyl)-2-(2-thienyl)acetamide
• Formula: C12 H10 Br N O S
• Calculated formula: C12 H10 Br N O S
• SMILES: O=C(Cc1cccs1)Nc1ccc(cc1)Br
• Title of publication: <i>N</i>-(4-Bromophenyl)-2-(2-thienyl)acetamide
• Authors of publication: Nogueira, Thais C. M.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o177
• a: 4.7517 ± 0.0002 Å
• b: 10.7283 ± 0.0003 Å
• c: 11.7964 ± 0.0003 Å
• α: 76.419 ± 0.002°
• β: 88.437 ± 0.002°
• γ: 84.479 ± 0.002°
• Cell volume: 581.82 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes