Information card for entry 2215856

Structure parameters

• Common name: Tegaserod(+) maleate(-)
• Chemical name: [(5-methoxyindol-3-yl)methylenehydrazino](pentylamino)methaniminium maleate
• Formula: C20 H27 N5 O5
• Calculated formula: C20 H27 N5 O5
• SMILES: [nH]1cc(c2c1ccc(OC)c2)/C=N\NC(=[NH2+])NCCCCC.O=C([O-])/C=C/C(=O)O
• Title of publication: Tegaserod maleate
• Authors of publication: Qingfang, Cheng; Xingyou Xu; Tianya Liu; Cheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4198 - o4198
• a: 24.873 ± 0.003 Å
• b: 8.4962 ± 0.0016 Å
• c: 22.294 ± 0.002 Å
• α: 90°
• β: 93.732 ± 0.002°
• γ: 90°
• Cell volume: 4701.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1478
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes