Information card for entry 1508479

Structure parameters

• Formula: C15 H15 N O S
• Calculated formula: C15 H15 N O S
• SMILES: s1c(N)c(c2c1CCCC2)C(=O)c1ccccc1
• Title of publication: Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives
• Authors of publication: Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 1058 - 1066
• a: 9.208 ± 0.0004 Å
• b: 14.0485 ± 0.0007 Å
• c: 10.3826 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1343.08 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No