Information card for entry 7249108

Structure parameters

• Chemical name: Niclosamide n,n-dimethyl acetamide solvate 2
• Formula: C17 H17 Cl2 N3 O5
• Calculated formula: C17 H17 Cl2 N3 O5
• Title of publication: Why does the niclosamide drug form solvates or hydrates?
• Authors of publication: Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 32
• Pages of publication: 4313 - 4328
• a: 7.434 ± 0.0008 Å
• b: 14.1832 ± 0.0016 Å
• c: 18.431 ± 0.002 Å
• α: 100.902 ± 0.003°
• β: 100.288 ± 0.004°
• γ: 91.378 ± 0.004°
• Cell volume: 1874.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No