Information card for entry 2006160

Structure parameters

• Chemical name: N-butylthiophen-3-carboxamide
• Formula: C9 H13 N O S
• Calculated formula: C9 H13 N O S
• SMILES: s1cc(cc1)C(=O)NCCCC
• Title of publication: <i>N</i>-Butylthiophene-3-carboxamide and 2-Benzylseleno-<i>N</i>-butylthiophene-3-carboxamide at 130K
• Authors of publication: Gable, Robert W.; Laws, Melissa J.; Schiesser, Carl H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 641 - 644
• a: 9.7232 ± 0.0011 Å
• b: 9.2506 ± 0.0013 Å
• c: 10.6178 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 955 ± 0.2 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 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: 0.0363
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.1042
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα(nickelfiltered)
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No