Information card for entry 7209772

Structure parameters

• Common name: n-butylammoniun salt of tolbutamide
• Formula: C16 H29 N3 O3 S
• Calculated formula: C16 H29 N3 O3 S
• Title of publication: Crystalline products of tolbutamide decomposition in water after microwave treatment
• Authors of publication: Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3582
• a: 13.5031 ± 0.0006 Å
• b: 11.2985 ± 0.0005 Å
• c: 25.4543 ± 0.0012 Å
• α: 90°
• β: 98.694 ± 0.004°
• γ: 90°
• Cell volume: 3838.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No