Information card for entry 2022661

Structure parameters

• Common name: 2-Amino-1,5-diazaspiro[4.5]dec-1-en-5-ium tosylate
• Chemical name: 2-Amino-1,5-diazaspiro[4.5]dec-1-en-5-ium 4-methylbenzenesulfonate
• Formula: C15 H23 N3 O3 S
• Calculated formula: C15 H23 N3 O3 S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C.[N+]12(N=C(N)CC1)CCCCC2
• Title of publication: Crystal structure and antidiabetic activity of 2-aminospiropyrazolinium tosylates and the product of <i>O</i>-tosylation of β-(benzimidazol-1-yl)propioamidoxime
• Authors of publication: Kayukova, Lyudmila A.; Vologzhanina, Anna V.; Yergaliyeva, Elmira M.; Baitursynova, Gulnur P.; Shulgau, Zarina T.; Sergazy, Shynggys
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• a: 6.1202 ± 0.0003 Å
• b: 25.213 ± 0.001 Å
• c: 10.5669 ± 0.0004 Å
• α: 90°
• β: 106.403 ± 0.002°
• γ: 90°
• Cell volume: 1564.2 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0799
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes