Information card for entry 7201737

Structure parameters

• Formula: C16 H25 N5 O2
• Calculated formula: C16 H16 N5 O2
• Title of publication: Crystalline forms and aqueous solubilities of an IBS drug, tegaserod
• Authors of publication: Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 283
• a: 7.111 ± 0.003 Å
• b: 10.857 ± 0.005 Å
• c: 23.106 ± 0.01 Å
• α: 90°
• β: 93.241 ± 0.004°
• γ: 90°
• Cell volume: 1781 ± 1.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No