Information card for entry 2239627

Structure parameters

• Chemical name: 5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde
• Formula: C8 H11 N O2 S
• Calculated formula: C8 H11 N O2 S
• SMILES: CN(c1ccc(s1)C=O)CCO
• Title of publication: 5-[(2-Hydroxyethyl)(methyl)amino]thiophene-2-carbaldehyde
• Authors of publication: Sun, Xian-Shun; Shao, Nan-Qi; Li, Dan-Dan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o724
• a: 15.764 ± 0.005 Å
• b: 5.136 ± 0.005 Å
• c: 11.028 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 892.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes