Information card for entry 4504386

Structure parameters

• Chemical name: nevirapine hemi-ethyl acetate solvate
• Formula: C17 H18 N4 O2
• Calculated formula: C17 H18 N4 O2
• Title of publication: Pseudopolymorphs and Intrinsic Dissolution of Nevirapine
• Authors of publication: Pereira, Bruno G.; Fonte-Boa, Fabio D.; Resende, Jackson A. L. C.; Pinheiro, Carlos B.; Fernandes, Nelson G.; Yoshida, Maria I.; Vianna-Soares, Cristina D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2016 - 2023
• a: 7.9249 ± 0.0016 Å
• b: 8.6013 ± 0.0017 Å
• c: 12.7431 ± 0.0025 Å
• α: 95.43 ± 0.03°
• β: 90.16 ± 0.03°
• γ: 112.33 ± 0.02°
• Cell volume: 799.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No