Information card for entry 7207609

Structure parameters

• Common name: nevirapine-salicylic acid 2:1 co-crystal
• Chemical name: 11-cyclopropyl-5,11-dihydro-4-methyl-6H-dipyrido[3,2-b:2',3'-e]diazepin-6-one 2-hydroxybenzoic acid 2:1 co-crystal
• Formula: C37 H34 N8 O5
• Calculated formula: C37 H34 N8 O5
• Title of publication: Co-crystals of the antiretroviral nevirapine: crystal structures, thermal analysis and dissolution behaviour
• Authors of publication: Caira, Mino R.; Bourne, Susan A.; Samsodien, Halima; Engel, Emile; Liebenberg, Wilna; Stieger, Nicole; Aucamp, Marique
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2541
• a: 11.1549 ± 0.0014 Å
• b: 12.6194 ± 0.0015 Å
• c: 13.4644 ± 0.0016 Å
• α: 113.374 ± 0.002°
• β: 99.133 ± 0.002°
• γ: 107.324 ± 0.002°
• Cell volume: 1575.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No