Information card for entry 2233539

Structure parameters

• Chemical name: 2-Amino-<i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide
• Formula: C15 H15 Cl N2 O2 S
• Calculated formula: C15 H15 Cl N2 O2 S
• SMILES: Clc1ccccc1C(=O)c1c(sc(c1)CC)NC(=O)CN
• Title of publication: 2-Amino-<i>N</i>-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Dayananda, A. S.; Yathirajan, H. S.; Ramesha, A. R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o547 - o548
• a: 13.9784 ± 0.0011 Å
• b: 13.5565 ± 0.0011 Å
• c: 8.3334 ± 0.0007 Å
• α: 90°
• β: 91.233 ± 0.001°
• γ: 90°
• Cell volume: 1578.8 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes